Validamycin supplier | CasNO.37248-47-8

Name
Validamycin
EINECS 609-372-4
CAS No. 37248-47-8
Article Data6
CAS DataBase
Density 1.69 g/cm³
Solubility soluble in water, methanol, dioxane, dimethylformamide
Melting Point 130-135 °C
Formula C₂₀H₃₅NO₁₃
Boiling Point 813.7 °C at 760 mmHg
Molecular Weight 497.497
Flash Point 445.9 °C
Transport Information
Appearance white powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (1S-(1a,4a,5B,6a))-1,5,6-Trideoxy-3-O-B-D-glucopyranosyl-5-;HSDB 6745;Validacin;Validamycin A;Valimon;
PSA 253.02000
LogP -6.36180

Synthetic route

: 86733-63-3
7,2'',3'',4'',6''-penta-O-acetyl-2,3,4',5',6',7'-hexa-O-benzylvalidamycin A

: 37248-47-8
validamycin A

Conditions

Conditions	Yield
With ammonia; sodium In tetrahydrofuran at -78℃; for 6h;
With ammonium chloride; sodium 1) liq NH3, THF, -70 deg C, 4 h 20 min, 2) room temp., 4.5 h; Multistep reaction;

: 86733-64-4, 121468-80-2
validamycin A undeca-O-acetate

: 37248-47-8
validamycin A

Conditions

Conditions	Yield
With sodium methylate In methanol for 5h; Ambient temperature;

: 73482-11-8
validamycin A undecabenzyl ether

: 37248-47-8
validamycin A

Conditions

Conditions	Yield
With ammonium chloride; sodium 1) liq NH3, THF, -70 deg C, 4 h 20 min, 2) room temp., 4.5 h; Multistep reaction;

: 2280-44-6
D-Glucose

culture medium: culture medium

A: 32780-32-8
validamine

B: 38231-86-6
valienamine

C: 39318-73-5, 81691-72-7, 81739-22-2
validoxylamine A

D: 37248-47-8
validamycin A

Conditions

Conditions	Yield
With Streptomyces hygroscopicus var. limoneus In water at 28℃; for 168h; Further byproducts.;

...Expand

: 2280-44-6
D-Glucose

culture medium: culture medium

A: 32780-32-8
validamine

B: 38231-86-6
valienamine

C: 37248-47-8
validamycin A

D: validamycin B

Conditions

Conditions	Yield
With Streptomyces hygroscopicus var. limoneus In water at 28℃; for 168h; Further byproducts.;

...Expand

: 86733-61-1
2,3,4',5',6',7'-hexa-O-benzylvalidoxylamine A

: 37248-47-8
validamycin A

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 55.7 percent / imidazole / CHCl3 / 40 h / Heating 2: 74.2 percent / silver trifluoromethanesulphonate, 1,1,3,3-tetramethylurea / CH2Cl2 / 4.5 h / Ambient temperature 3: 1) sodium, 2) ammonium chloride / 1) liq NH3, THF, -70 deg C, 4 h 20 min, 2) room temp., 4.5 h View Scheme
Multi-step reaction with 3 steps 1: 61 percent / imidazole / CHCl3 / 48 h / Heating 2: 84 percent / silver trifluoromethanesulphonate, 1,1,3,3-tetramethylurea / CH2Cl2 / 10 h / Ambient temperature 3: liquid ammonia, sodium / tetrahydrofuran / 6 h / -78 °C View Scheme

: 86733-62-2
7-O-acetyl-2,3,4',5',6',7'-hexa-O-benzylvalidoxylamine A

: 37248-47-8
validamycin A

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 74.2 percent / silver trifluoromethanesulphonate, 1,1,3,3-tetramethylurea / CH2Cl2 / 4.5 h / Ambient temperature 2: 1) sodium, 2) ammonium chloride / 1) liq NH3, THF, -70 deg C, 4 h 20 min, 2) room temp., 4.5 h View Scheme
Multi-step reaction with 2 steps 1: 84 percent / silver trifluoromethanesulphonate, 1,1,3,3-tetramethylurea / CH2Cl2 / 10 h / Ambient temperature 2: liquid ammonia, sodium / tetrahydrofuran / 6 h / -78 °C View Scheme

: 86756-42-5, 102131-10-2
2,3,4',5',6',7'-hexa-O-benzyl-4,7-O-benzylidenevalidoxylamine A

: 37248-47-8
validamycin A

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 59 percent / aq acetic acid (80percent) / 20 h / 60 °C 2: 55.7 percent / imidazole / CHCl3 / 40 h / Heating 3: 74.2 percent / silver trifluoromethanesulphonate, 1,1,3,3-tetramethylurea / CH2Cl2 / 4.5 h / Ambient temperature 4: 1) sodium, 2) ammonium chloride / 1) liq NH3, THF, -70 deg C, 4 h 20 min, 2) room temp., 4.5 h View Scheme
Multi-step reaction with 4 steps 1: 86 percent / aq. 80percent acetic acid / 9 h / 50 °C 2: 61 percent / imidazole / CHCl3 / 48 h / Heating 3: 84 percent / silver trifluoromethanesulphonate, 1,1,3,3-tetramethylurea / CH2Cl2 / 10 h / Ambient temperature 4: liquid ammonia, sodium / tetrahydrofuran / 6 h / -78 °C View Scheme

: 86733-60-0, 102131-09-9
4,7-O-benzylidenevalidoxylamine A hexa-O-acetate

: 37248-47-8
validamycin A

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 1)methanolic sodium methoxyde (1M), 2) sodium hydride / 1) methanol, room temp., 50 min, 2) DMF, room temp., 23 h 2: 59 percent / aq acetic acid (80percent) / 20 h / 60 °C 3: 55.7 percent / imidazole / CHCl3 / 40 h / Heating 4: 74.2 percent / silver trifluoromethanesulphonate, 1,1,3,3-tetramethylurea / CH2Cl2 / 4.5 h / Ambient temperature 5: 1) sodium, 2) ammonium chloride / 1) liq NH3, THF, -70 deg C, 4 h 20 min, 2) room temp., 4.5 h View Scheme

Yield

Multi-step reaction with 5 steps
1: 1)methanolic sodium methoxyde (1M), 2) sodium hydride / 1) methanol, room temp., 50 min, 2) DMF, room temp., 23 h
2: 59 percent / aq acetic acid (80percent) / 20 h / 60 °C
3: 55.7 percent / imidazole / CHCl3 / 40 h / Heating
4: 74.2 percent / silver trifluoromethanesulphonate, 1,1,3,3-tetramethylurea / CH2Cl2 / 4.5 h / Ambient temperature
5: 1) sodium, 2) ammonium chloride / 1) liq NH3, THF, -70 deg C, 4 h 20 min, 2) room temp., 4.5 h
View Scheme

: 114779-32-7
1D-(1,3,6/2)-6-amino-4-benzyloxymethyl-1,2,3-tri-O-benzyltrihydroxycyclohex-4-ene

: 37248-47-8
validamycin A

Conditions

Conditions	Yield
Multi-step reaction with 8 steps 1: 75 percent / propan-2-ol / 110 h / 120 °C 2: 89 percent / sodium hydride, di-imidazolyl sulphone / dimethylformamide / 1.5 h / 50 °C 3: 91 percent / propan-2-ol / 4 h / 80 °C 4: 75 percent / H2 / Ranei nickel T-4 / dioxane; ethanol / 6 h / 60 °C 5: 86 percent / aq. 80percent acetic acid / 9 h / 50 °C 6: 61 percent / imidazole / CHCl3 / 48 h / Heating 7: 84 percent / silver trifluoromethanesulphonate, 1,1,3,3-tetramethylurea / CH2Cl2 / 10 h / Ambient temperature 8: liquid ammonia, sodium / tetrahydrofuran / 6 h / -78 °C View Scheme

Yield

Multi-step reaction with 8 steps
1: 75 percent / propan-2-ol / 110 h / 120 °C
2: 89 percent / sodium hydride, di-imidazolyl sulphone / dimethylformamide / 1.5 h / 50 °C
3: 91 percent / propan-2-ol / 4 h / 80 °C
4: 75 percent / H2 / Ranei nickel T-4 / dioxane; ethanol / 6 h / 60 °C
5: 86 percent / aq. 80percent acetic acid / 9 h / 50 °C
6: 61 percent / imidazole / CHCl3 / 48 h / Heating
7: 84 percent / silver trifluoromethanesulphonate, 1,1,3,3-tetramethylurea / CH2Cl2 / 10 h / Ambient temperature
8: liquid ammonia, sodium / tetrahydrofuran / 6 h / -78 °C
View Scheme

: 114779-35-0, 148347-66-4
(1aR,2S,3S,3aR,5R,7aS,7bR)-2,3-Bis-benzyloxy-5-phenyl-hexahydro-1,4,6-trioxa-cyclopropa[a]naphthalene

: 37248-47-8
validamycin A

Conditions

Conditions	Yield
Multi-step reaction with 8 steps 1: 75 percent / propan-2-ol / 110 h / 120 °C 2: 89 percent / sodium hydride, di-imidazolyl sulphone / dimethylformamide / 1.5 h / 50 °C 3: 91 percent / propan-2-ol / 4 h / 80 °C 4: 75 percent / H2 / Ranei nickel T-4 / dioxane; ethanol / 6 h / 60 °C 5: 86 percent / aq. 80percent acetic acid / 9 h / 50 °C 6: 61 percent / imidazole / CHCl3 / 48 h / Heating 7: 84 percent / silver trifluoromethanesulphonate, 1,1,3,3-tetramethylurea / CH2Cl2 / 10 h / Ambient temperature 8: liquid ammonia, sodium / tetrahydrofuran / 6 h / -78 °C View Scheme

Yield

: 117295-71-3
(1S,2R,5R,7R,8S,10S)-8,9-dibenzyloxy-11-<(1S)-(1,4,6/5)-4,5,6-tribenzyloxy-3-benzyloxymethylcyclohex-2enyl>-5-phenyl-4,6-dioxa-11-azatricyclo<8.1.0.0.2,7>undecane

: 37248-47-8
validamycin A

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: 91 percent / propan-2-ol / 4 h / 80 °C 2: 75 percent / H2 / Ranei nickel T-4 / dioxane; ethanol / 6 h / 60 °C 3: 86 percent / aq. 80percent acetic acid / 9 h / 50 °C 4: 61 percent / imidazole / CHCl3 / 48 h / Heating 5: 84 percent / silver trifluoromethanesulphonate, 1,1,3,3-tetramethylurea / CH2Cl2 / 10 h / Ambient temperature 6: liquid ammonia, sodium / tetrahydrofuran / 6 h / -78 °C View Scheme

Yield

Multi-step reaction with 6 steps
1: 91 percent / propan-2-ol / 4 h / 80 °C
2: 75 percent / H2 / Ranei nickel T-4 / dioxane; ethanol / 6 h / 60 °C
3: 86 percent / aq. 80percent acetic acid / 9 h / 50 °C
4: 61 percent / imidazole / CHCl3 / 48 h / Heating
5: 84 percent / silver trifluoromethanesulphonate, 1,1,3,3-tetramethylurea / CH2Cl2 / 10 h / Ambient temperature
6: liquid ammonia, sodium / tetrahydrofuran / 6 h / -78 °C
View Scheme

: 117320-21-5
2,3,4',5',6',7'-hexa-O-benzyl-4,5-O-benzyllidenevalidoxylamine B

: 37248-47-8
validamycin A

Conditions

Conditions	Yield
Multi-step reaction with 7 steps 1: 89 percent / sodium hydride, di-imidazolyl sulphone / dimethylformamide / 1.5 h / 50 °C 2: 91 percent / propan-2-ol / 4 h / 80 °C 3: 75 percent / H2 / Ranei nickel T-4 / dioxane; ethanol / 6 h / 60 °C 4: 86 percent / aq. 80percent acetic acid / 9 h / 50 °C 5: 61 percent / imidazole / CHCl3 / 48 h / Heating 6: 84 percent / silver trifluoromethanesulphonate, 1,1,3,3-tetramethylurea / CH2Cl2 / 10 h / Ambient temperature 7: liquid ammonia, sodium / tetrahydrofuran / 6 h / -78 °C View Scheme

Yield

Multi-step reaction with 7 steps
1: 89 percent / sodium hydride, di-imidazolyl sulphone / dimethylformamide / 1.5 h / 50 °C
2: 91 percent / propan-2-ol / 4 h / 80 °C
3: 75 percent / H2 / Ranei nickel T-4 / dioxane; ethanol / 6 h / 60 °C
4: 86 percent / aq. 80percent acetic acid / 9 h / 50 °C
5: 61 percent / imidazole / CHCl3 / 48 h / Heating
6: 84 percent / silver trifluoromethanesulphonate, 1,1,3,3-tetramethylurea / CH2Cl2 / 10 h / Ambient temperature
7: liquid ammonia, sodium / tetrahydrofuran / 6 h / -78 °C
View Scheme

: 117295-72-4
2,3,4',5',6',7'-hexa-O-benzyl-4,7-O-benzylidene-6-p-toluenesulphenylvalidoxylamine A

: 37248-47-8
validamycin A

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 75 percent / H2 / Ranei nickel T-4 / dioxane; ethanol / 6 h / 60 °C 2: 86 percent / aq. 80percent acetic acid / 9 h / 50 °C 3: 61 percent / imidazole / CHCl3 / 48 h / Heating 4: 84 percent / silver trifluoromethanesulphonate, 1,1,3,3-tetramethylurea / CH2Cl2 / 10 h / Ambient temperature 5: liquid ammonia, sodium / tetrahydrofuran / 6 h / -78 °C View Scheme

: uridine 5′-diphosphate glucose disodium salt

: 38665-10-0
(+)-validoxylamine A

: 37248-47-8
validamycin A

Conditions

Conditions	Yield
With recombinant His6-tagged validamycin glycosyltransferase at 30℃; pH=7.5; aq. buffer; Enzymatic reaction;

: 108-24-7
acetic anhydride

: 37248-47-8
validamycin A

: 86733-64-4, 121468-80-2
validamycin A undeca-O-acetate

Conditions

Conditions	Yield
In pyridine Ambient temperature;	60%
Yield given;

: 37248-47-8
validamycin A

: 92621-62-0
1L-(1,2,4/3)-1-Methyl-2,3,4-cyclohexantriol

Conditions

Conditions	Yield
(reduction);

: 37248-47-8
validamycin A

: 139561-46-9
5a-carba-1,5-anhydro-L-iditol

Conditions

Conditions	Yield
(reduction);

: 100-39-0
benzyl bromide

: 37248-47-8
validamycin A

: 73482-11-8
validamycin A undecabenzyl ether

Conditions

Conditions	Yield
With sodium hydride 1) DMF, r.t., 1 h, 2) r.t., 23 h; Yield given. Multistep reaction;

: 58632-95-4
2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile

: 108-24-7
acetic anhydride

: 37248-47-8
validamycin A

A: 223608-50-2
N-(tert-butyloxycarbonyl)-4,5,6-tri-O-acetyl-valienamine-3-aldehyde

B: Acetic acid (1S,2S,3R,4S,6S)-2,3-diacetoxy-6-tert-butoxycarbonylamino-4-formyl-cyclohexyl ester

Conditions

Conditions	Yield
Multistep reaction;	A 8 mg B n/a

...Expand

: 58632-95-4
2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile

: 108-24-7
acetic anhydride

: 37248-47-8
validamycin A

A: N-(tert-butyloxycarbonyl)-4,5,6-tri-O-acetyl-valienamine

B: N-(tert-butyloxycarbonyl)-4,5,6-tri-O-acetyl-validamine

Conditions

Conditions	Yield
Multistep reaction. Title compound not separated from byproducts;

...Expand

: 58632-95-4
2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile

: 108-24-7
acetic anhydride

: 37248-47-8
validamycin A

: 14470-28-1
mono-4-methoxytrityl chloride

A: N-(tert-butoxycarbonyl)-4,5,6-tri-O-acetyl-7-(4-monomethoxytrityl)-valienamine

B: N-(tert-butoxycarbonyl)-4,5,6-tri-O-acetyl-7-(4-monomethoxytrityl)-validamine

Conditions

Conditions	Yield
Multistep reaction. Title compound not separated from byproducts;

...Expand

: 37248-47-8
validamycin A

A: 38665-10-0
(+)-validoxylamine A

B: 32780-32-8
validamine

C: 38231-86-6
valienamine

Conditions

Conditions	Yield
With ammonium sulfate; Flavobacterium saccharophilum IFO 13984; magnesium sulfate In phosphate buffer for 96h; pH=7.1; Hydrolysis; Title compound not separated from byproducts;

...Expand

: 58632-95-4
2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile

: 37248-47-8
validamycin A

: 85240-37-5
N-(tert-butyloxycarbonyl)-valienamide

A: N-(tert-butyloxycarbonyl)-7-(4-monomethoxytrityl)-valienamine

B: N-(tert-butyloxycarbonyl)-7-(4-monomethoxytrityl)-validamine

Conditions

Conditions	Yield
Stage #1: validamycin A With ammonium sulfate; Flavobacterium saccharophilum IFO 13984; magnesium sulfate In phosphate buffer for 96h; pH=7.1; Hydrolysis; Stage #2: 2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile In 1,4-dioxane; water at 20℃; Acylation; Stage #3: N-(tert-butyloxycarbonyl)-valienamide With dmap; triethylamine In dichloromethane at 20℃; for 168000h; Etherification; Title compound not separated from byproducts;

Yield

Stage #1: validamycin A With ammonium sulfate; Flavobacterium saccharophilum IFO 13984; magnesium sulfate In phosphate buffer for 96h; pH=7.1; Hydrolysis;
Stage #2: 2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile In 1,4-dioxane; water at 20℃; Acylation;
Stage #3: N-(tert-butyloxycarbonyl)-valienamide With dmap; triethylamine In dichloromethane at 20℃; for 168000h; Etherification; Title compound not separated from byproducts;

...Expand

: 58632-95-4
2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile

: 37248-47-8
validamycin A

A: 85240-37-5
N-(tert-butyloxycarbonyl)-valienamide

B: N-(tert-butyloxycarbonyl)-validamine

Conditions

Conditions	Yield
Stage #1: validamycin A With ammonium sulfate; Flavobacterium saccharophilum IFO 13984; magnesium sulfate In phosphate buffer for 96h; pH=7.1; Hydrolysis; Stage #2: 2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile In 1,4-dioxane; water at 20℃; Acylation; Title compound not separated from byproducts;

...Expand

: 37248-47-8
validamycin A

: 38665-10-0
(+)-validoxylamine A

Conditions

Conditions	Yield
With acid
With sulfuric acid; acetic acid Inert atmosphere;

: 37248-47-8
validamycin A

: 1316288-57-9
C21H29NO8

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sulfuric acid; acetic acid / Inert atmosphere 2: toluene-4-sulfonic acid / N,N-dimethyl-formamide / 3 h / 60 °C / Inert atmosphere View Scheme

: 37248-47-8
validamycin A

A: 114779-32-7
1D-(1,3,6/2)-6-amino-4-benzyloxymethyl-1,2,3-tri-O-benzyltrihydroxycyclohex-4-ene

B: 139499-19-7
2,3,4,7-tetra-O-benzylvalidamine

C: 124330-57-0
(2R,3S,4R,5R)-2,3,4-tris(benzyloxy)-5-[(benzyloxy)methyl]cyclohexanone

D: 110391-10-1
(4R,5S,6R)-4,5,6-tris(benzyloxy)-3-((benzyloxy)methyl)-2-cyclohexen-1-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: sulfuric acid; acetic acid / Inert atmosphere 2: sodium hydride / N,N-dimethyl-formamide / Inert atmosphere 3: N-Bromosuccinimide / water; acetonitrile / 15 h / 20 °C / Inert atmosphere View Scheme

...Expand

: 37248-47-8
validamycin A

: 137063-37-7
((1R,2R,3S,4S,5S)-2,3,4-tris(benzyloxy)-5-(((1S,4R,5S,6S)-4,5,6-tris(benzyloxy)-3-((benzyloxy)methyl)cyclohex-2-en-1-yl)amino)cyclohexyl)methanol

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: sulfuric acid; acetic acid / Inert atmosphere 2.1: toluene-4-sulfonic acid / N,N-dimethyl-formamide / 3 h / 60 °C / Inert atmosphere 3.1: sodium hydride / N,N-dimethyl-formamide / 0.5 h / 0 °C / Inert atmosphere 3.2: 3 h / 20 °C / Inert atmosphere 4.1: diisobutylaluminium hydride / hexane; dichloromethane / 6.5 h / 0 - 20 °C / Inert atmosphere View Scheme

: 37248-47-8
validamycin A

: 86756-42-5, 102131-10-2
(4aR,6S,7S,8S,8aR)-7,8-bis(benzyloxy)-2-phenyl-N-((1S,4R,5S,6S)-4,5,6-tris(benzyloxy)-3-((benzyloxy)methyl)cyclohex-2-en-1-yl)hexahydro-4H-benzo[d][1,3]dioxin-6-amine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: sulfuric acid; acetic acid / Inert atmosphere 2.1: toluene-4-sulfonic acid / N,N-dimethyl-formamide / 3 h / 60 °C / Inert atmosphere 3.1: sodium hydride / N,N-dimethyl-formamide / 0.5 h / 0 °C / Inert atmosphere 3.2: 3 h / 20 °C / Inert atmosphere View Scheme

Validamycin Specification

The Validamycin with CAS registry number of 37248-47-8 is also known as D-Chiro-Inositol,1,5,6-trideoxy-4-O-b-D-glucopyranosyl-5-(hydroxymethyl)-1-[[4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-,[1S-(1a,4a,5b,6a)]-. The IUPAC name is (2R,3R,4S,5S,6R)-2-[(1R,2R,3S,4S,6R)-2,3-Dihydroxy-6-(hydroxymethyl)-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol. It belongs to product categories of Fungicide. In addition, the formula is C₂₀H₃₅NO₁₃ and the molecular weight is 497.49. This chemcial is a white powder and should be stored at the temperature of 0-6 °C. It is extracted and made from variant and ferment of water streptomycin.

Physical properties about Validamycin are: (1)# of Rule of 5 Violations: 2; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 14; (7)#H bond donors: 12; (8)#Freely Rotating Bonds: 18; (9)Index of Refraction: 1.689; (10)Molar Refractivity: 111.91 cm³; (11)Molar Volume: 292.9 cm³; (12)Surface Tension: 112.4 dyne/cm; (13)Density: 1.69 g/cm³; (14)Flash Point: 445.9 °C; (15)Enthalpy of Vaporization: 134.65 kJ/mol; (16)Boiling Point: 813.7 °C at 760 mmHg; (17)Vapour Pressure: 1.17E-30 mmHg at 25 °C.

Uses of Validamycin: it is used as microbial fungicide. Besides, it is mainly for control of rice sheath blight, both protection and treatment. This chemical is also used to rid pellet sclerotinia, corn leaf blight, damping-off and root rot of vegetables, blight of cotton, bean, ginseng and so on.

You can still convert the following datas into molecular structure:
1. SMILES: OC/C3=C/[C@H](N[C@H]2C[C@H](CO)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]3O
2. InChI: InChI=1/C20H35NO13/c22-3-6-1-8(12(26)15(29)11(6)25)21-9-2-7(4-23)19(17(31)13(9)27)34-20-18(32)16(30)14(28)10(5-24)33-20/h1,7-32H,2-5H2/t7-,8+,9+,10-,11+,12+,13+,14-,15+,16+,17-,18-,19-,20+/m1/s1
3. InChIKey: JARYYMUOCXVXNK-IMTORBKUBD
4. Std. InChI: InChI=1S/C20H35NO13/c22-3-6-1-8(12(26)15(29)11(6)25)21-9-2-7(4-23)19(17(31)13(9)27)34-20-18(32)16(30)14(28)10(5-24)33-20/h1,7-32H,2-5H2/t7-,8+,9+,10-,11+,12+,13+,14-,15+,16+,17-,18-,19-,20+/m1/s1
5. Std. InChIKey: JARYYMUOCXVXNK-IMTORBKUSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	13gm/kg (13000mg/kg)	Japan Pesticide Information. Vol. (47), Pg. 17, 1985.
mouse	LD50	intravenous	> 13gm/kg (13000mg/kg)	Japan Pesticide Information. Vol. (15), Pg. 28, 1973.
mouse	LD50	oral	2gm/kg (2000mg/kg)	"CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 1, Pg. 229, 1980.
mouse	LD50	subcutaneous	> 15gm/kg (15000mg/kg)	Japan Pesticide Information. Vol. (47), Pg. 17, 1985.
rat	LC50	inhalation	> 5gm/m³ (5000mg/m³)	Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 17, Pg. S29, 1992.
rat	LD50	intraperitoneal	10gm/kg (10000mg/kg)	Japan Pesticide Information. Vol. (47), Pg. 17, 1985.
rat	LD50	intravenous	7200mg/kg (7200mg/kg)	Japan Pesticide Information. Vol. (47), Pg. 17, 1985.
rat	LD50	oral	> 20gm/kg (20000mg/kg)	Japan Pesticide Information. Vol. (15), Pg. 28, 1973.
rat	LD50	skin	> 5gm/kg (5000mg/kg)	Japan Pesticide Information. Vol. (40), Pg. 32, 1982.
rat	LD50	subcutaneous	> 15gm/kg (15000mg/kg)	Japan Pesticide Information. Vol. (47), Pg. 17, 1985.

Product Name

Validamycin

Synthetic route

Validamycin Specification

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