5-Androsten-3beta,7beta-diol-17-one supplier

Name
5-ANDROSTEN-3-BETA, 7-BETA-DIOL-17-ONE
EINECS
CAS No. 2487-48-1
Article Data48
CAS DataBase
Density 1.194 g/cm³
Solubility
Melting Point 215-216 °C(Solv: acetone (67-64-1); cyclohexane (110-82-7))
Formula C₁₉H₂₈O₃
Boiling Point 473.271 °C at 760 mmHg
Molecular Weight 304.43
Flash Point 254.138 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Androst-5-en-17-one,3β,7b-dihydroxy- (7CI,8CI);(3β,7β,8ξ,9ξ,14ξ)-3,7-dihydroxyandrost-5-en-17-one;5-Androsten-3β,7β-diol-17-one;
PSA 57.53000
LogP 2.85000

Synthetic route

: 7β-hydroxy-17-oxoandrost-5-ene-3β-yl acetate

: 2487-48-1
5-androsten-3β,7β-diol-17-one

Conditions

Conditions	Yield
With sodium carbonate In methanol; water for 1.25h; Heating;	83%
With water; sodium carbonate In methanol for 3h; Reflux;	75%

: 53-43-0
dehydroepiandrosterone

: 2487-48-1
5-androsten-3β,7β-diol-17-one

Conditions

Conditions	Yield
With Dipodia gossypina	54%
mit Hilfe einer Rhizopus-Art;
With Botryodiplodia malorum In phosphate buffer; dimethyl sulfoxide at 30℃; for 72h; pH=6.0; Microbiological reaction;

: 53-43-0
dehydroepiandrosterone

A: 566-19-8
5-androstene-3β-ol-7,17-dione

B: 2487-48-1, 7522-54-5, 62357-03-3, 53-00-9
3β,7α-dihydroxyandrost-5-ene-17-one

C: 2487-48-1
5-androsten-3β,7β-diol-17-one

Conditions

Conditions	Yield
With Mortierella isabellina AM212 fungal strain for 12h; Enzymatic reaction;	A 6% B 53.5% C 24%
With Absidia coerulea AM93 In acetone at 20℃; for 8h; Time; Enzymatic reaction;	A 5.5% B 22% C 49%

...Expand

: 53-43-0
dehydroepiandrosterone

A: 2487-48-1, 7522-54-5, 62357-03-3, 53-00-9
3β,7α-dihydroxyandrost-5-ene-17-one

B: 2487-48-1
5-androsten-3β,7β-diol-17-one

Conditions

Conditions	Yield
With Aspergillus wentii MRC 200316 In water; N,N-dimethyl-formamide at 27℃; for 120h; pH=7.2; Culture medium; Microbiological reaction; Enzymatic reaction;	A 51% B 12%
With dipotassium hydrogenphosphate; magnesium sulfate heptahydrate; Maltose for 96h; Enzymatic reaction;	A 43.6% B 12.6%
With Mucor racemosus In acetone at 27℃; for 96h;	A 40.9% B 18%

: 53-43-0
dehydroepiandrosterone

A: 2487-48-1, 7522-54-5, 62357-03-3, 53-00-9
3β,7α-dihydroxyandrost-5-ene-17-one

B: 2487-48-1
5-androsten-3β,7β-diol-17-one

C: 10161-36-1
3β,5α,6β-trihydroxy-5α-androstan-17-one

D: 39663-17-7
3β,11α-dihydroxyandrost-5-en-17-one

Conditions

Conditions	Yield
With Cephalosporium aphidicola In ethanol; dimethyl sulfoxide for 192h;	A 31% B 25% C 6% D 6%

...Expand

: 53-43-0
dehydroepiandrosterone

A: 2487-48-1, 7522-54-5, 62357-03-3, 53-00-9
3β,7α-dihydroxyandrost-5-ene-17-one

B: 2487-48-1
5-androsten-3β,7β-diol-17-one

C: 2061-72-5
3β-hydroxy-13,17-secoandrost-5-ene-17,13α-lactone

D: 4416-57-3
testololactone

Conditions

Conditions	Yield
With Aspergillus tamarii MRC 72400 In N,N-dimethyl-formamide at 25℃; for 120h; Baeyer-Villiger oxidation; Microbiological reaction;	A 24% B 13% C 28% D 6%

...Expand

: 853-23-6
prasterone acetate

A: 566-19-8
5-androstene-3β-ol-7,17-dione

B: 2487-48-1, 7522-54-5, 62357-03-3, 53-00-9
3β,7α-dihydroxyandrost-5-ene-17-one

C: 2487-48-1
5-androsten-3β,7β-diol-17-one

D: 58211-52-2
3β,14α-dihydroxyandrost-5-en-7,17-dione

Conditions

Conditions	Yield
With Cunninghamella elegans In ethanol for 72h; Further byproducts given;	A 5.4% B 26.8% C 9% D 1.1%
With Cunninghamella elegans In ethanol for 72h; Further byproducts given;	A 5.4% B 26.8% C 9% D 1.1%

...Expand

: 188176-04-7
Benzoic acid (3S,7R,8R,9S,10R,13S,14S)-7-isobutyryloxy-10,13-dimethyl-17-oxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester

: 2487-48-1
5-androsten-3β,7β-diol-17-one

Conditions

Conditions	Yield
With sodium hydroxide In tetrahydrofuran; methanol at 60℃; for 29h;	26%

: 53-43-0
dehydroepiandrosterone

A: 24704-84-5
6α-hydroxy-androst-4-ene-3,17-dione

B: 2243-05-2
5α-androst-3,6,17-trione

C: 2487-48-1, 7522-54-5, 62357-03-3, 53-00-9
3β,7α-dihydroxyandrost-5-ene-17-one

D: 2487-48-1
5-androsten-3β,7β-diol-17-one

E: 62-84-0, 31427-20-0
7α-hydroxyandrost-4-ene-3,17-dione

F: 63-00-3
6β-hydroxy-4-androstene-3,17-dione

Conditions

Conditions	Yield
With Cladosporium sphaerospermum MRC 70266 In water; N,N-dimethyl-formamide at 28℃; for 120h; Enzymatic reaction;	A 5% B 4% C 20% D 4% E 6% F 15%

...Expand

: 53-43-0
dehydroepiandrosterone

A: 566-19-8
5-androstene-3β-ol-7,17-dione

B: 2487-48-1, 7522-54-5, 62357-03-3, 53-00-9
3β,7α-dihydroxyandrost-5-ene-17-one

C: 2487-48-1
5-androsten-3β,7β-diol-17-one

D: 3β,7β-dihydroxy-5β,6β-epoxyandrostan-17-one

E: 3β,4β,7β-trihydroxyandrost-5-en-17-one

F: 3β,7α-dihydroxy-5β,6β-epoxyandrostan-17-one

G: 3β,4β,7α-trihydroxyandrost-5-en-17-one

Conditions

Conditions	Yield
With Ulocladium chartarum MRC 72584 In water; N,N-dimethyl-formamide at 28℃; for 120h; Enzymatic reaction;	A 6% B 12% C 16% D 3% E 4% F 2% G 3%

...Expand

: 663-39-8
3α,5-cyclo-5α-androstan-6β-ol-17-one

A: 2487-48-1, 7522-54-5, 62357-03-3, 53-00-9
3β,7α-dihydroxyandrost-5-ene-17-one

B: 2487-48-1
5-androsten-3β,7β-diol-17-one

C: 94991-86-3
3β,14α-dihydroxy-androst-5-en-17-one

D: 14α-hydroxy-3α,5-cycloandrostane-6,17-dione

Conditions

Conditions	Yield
With culture of Cephalosporium aphidicola In ethanol; dimethyl sulfoxide for 192h; Oxidation; hydroxylation; rearrangement; biotransformation; Further byproducts given;	A 15% B 13% C 6% D 2%

...Expand

: 663-39-8
3α,5-cyclo-5α-androstan-6β-ol-17-one

A: 2487-48-1, 7522-54-5, 62357-03-3, 53-00-9
3β,7α-dihydroxyandrost-5-ene-17-one

B: 2487-48-1
5-androsten-3β,7β-diol-17-one

C: 10161-36-1
3β,5α,6β-trihydroxy-5α-androstan-17-one

D: 24357-28-6
6β,14α-dihydroxy-3α,5-cycloandrostan-17-one

Conditions

Conditions	Yield
With culture of Cephalosporium aphidicola In ethanol; dimethyl sulfoxide for 192h; Oxidation; hydroxylation; rearrangement; biotransformation; Further byproducts given;	A 15% B 13% C 9% D 10%

...Expand

: 521-17-5, 1963-03-7, 4593-57-1, 4593-58-2, 14504-94-0, 16895-59-3, 47122-33-8, 64162-67-0, 75767-22-5, 139973-51-6, 151284-19-4
5-androstenediol

A: 2487-48-1, 7522-54-5, 62357-03-3, 53-00-9
3β,7α-dihydroxyandrost-5-ene-17-one

B: 2487-48-1
5-androsten-3β,7β-diol-17-one

Conditions

Conditions	Yield
With dipotassium hydrogenphosphate; magnesium sulfate heptahydrate; Maltose for 96h; Enzymatic reaction;	A 8.9% B 11.1%

: 853-23-6
prasterone acetate

A: 566-19-8
5-androstene-3β-ol-7,17-dione

B: 2487-48-1
5-androsten-3β,7β-diol-17-one

C: 58324-06-4
5,6β-epoxy-3β,12α-dihydroxy-5β-androstan-17-one

D: 58211-52-2
3β,14α-dihydroxyandrost-5-en-7,17-dione

Conditions

Conditions	Yield
With Cunninghamella elegans In ethanol for 72h; Further byproducts given;	A 5.4% B 9% C 4.1% D 1.1%

...Expand

: 202415-78-9
5-androsten-3β,7β-diol-17-one ethylene ketal 3-tert-butyldimethylsilyl ether

: 2487-48-1
5-androsten-3β,7β-diol-17-one

Conditions

Conditions	Yield
With hydrogenchloride In tetrahydrofuran; methanol

: 23549-24-8, 23549-26-0, 2174-13-2
3β-acetoxy-20-hydroxyiminopregna-5,16-diene

: 2487-48-1
5-androsten-3β,7β-diol-17-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: POCl3; pyridine / toluene / 4 h / 10 - 20 °C 1.2: 51.8 percent / KOH / methanol / Heating 2.1: 18 percent / Mucor racemosus / acetone / 96 h / 27 °C View Scheme

: 979-02-2
16-dehydropregnenolone acetate

: 2487-48-1
5-androsten-3β,7β-diol-17-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: 87 percent / NH2OH*HCl / pyridine; ethanol; H2O / 0.5 h / Heating 2.1: POCl3; pyridine / toluene / 4 h / 10 - 20 °C 2.2: 51.8 percent / KOH / methanol / Heating 3.1: 18 percent / Mucor racemosus / acetone / 96 h / 27 °C View Scheme

: 512-04-9
diosgenin

: 2487-48-1
5-androsten-3β,7β-diol-17-one

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: NH4Cl / pyridine / Heating 1.2: CrO3; CH3COOH / 1,2-dichloro-ethane / 0 °C 1.3: AcONa3H2O / Heating 2.1: 87 percent / NH2OHHCl / pyridine; ethanol; H2O / 0.5 h / Heating 3.1: POCl3; pyridine / toluene / 4 h / 10 - 20 °C 3.2: 51.8 percent / KOH / methanol / Heating 4.1: 18 percent / Mucor racemosus / acetone / 96 h / 27 °C View Scheme

: 202415-77-8
5-androsten-7,17-dione-3β-ol ethylene ketal tert-butyldimethylsilyl ether

: 2487-48-1
5-androsten-3β,7β-diol-17-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NaBH4; CeCl3 2: HCl / methanol; tetrahydrofuran View Scheme

: 83205-52-1, 2080-86-6
3β-benzoyloxy-androst-5-en-17-one

: 2487-48-1
5-androsten-3β,7β-diol-17-one

Conditions

Conditions	Yield
Multi-step reaction with 8 steps 1: 91 percent / NaBH4 / CH2Cl2 / 2 h / 10 °C 2: 81 percent / pyridine / 48 h / Ambient temperature 3: 68 percent / CrO3, 3,5-dimethylpyrazole / CH2Cl2 / 3 h / -20 °C 4: 83 percent / CeCl3*5H2O, NaBH4 / tetrahydrofuran; methanol / 0.08 h 5: 90 percent / pyridine / 1 h / 0 °C 6: 36 percent / conc. HCl / CHCl3; methanol / 25 h / Ambient temperature 7: 93 percent / Jones reagent / acetone / 0.08 h / Ambient temperature 8: 26 percent / aq. NaOH / tetrahydrofuran; methanol / 29 h / 60 °C View Scheme

Yield

Multi-step reaction with 8 steps
1: 91 percent / NaBH4 / CH2Cl2 / 2 h / 10 °C
2: 81 percent / pyridine / 48 h / Ambient temperature
3: 68 percent / CrO3, 3,5-dimethylpyrazole / CH2Cl2 / 3 h / -20 °C
4: 83 percent / CeCl3*5H2O, NaBH4 / tetrahydrofuran; methanol / 0.08 h
5: 90 percent / pyridine / 1 h / 0 °C
6: 36 percent / conc. HCl / CHCl3; methanol / 25 h / Ambient temperature
7: 93 percent / Jones reagent / acetone / 0.08 h / Ambient temperature
8: 26 percent / aq. NaOH / tetrahydrofuran; methanol / 29 h / 60 °C
View Scheme

: 96073-67-5
Benzoic acid (3S,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester

: 2487-48-1
5-androsten-3β,7β-diol-17-one

Conditions

Conditions	Yield
Multi-step reaction with 7 steps 1: 81 percent / pyridine / 48 h / Ambient temperature 2: 68 percent / CrO3, 3,5-dimethylpyrazole / CH2Cl2 / 3 h / -20 °C 3: 83 percent / CeCl3*5H2O, NaBH4 / tetrahydrofuran; methanol / 0.08 h 4: 90 percent / pyridine / 1 h / 0 °C 5: 36 percent / conc. HCl / CHCl3; methanol / 25 h / Ambient temperature 6: 93 percent / Jones reagent / acetone / 0.08 h / Ambient temperature 7: 26 percent / aq. NaOH / tetrahydrofuran; methanol / 29 h / 60 °C View Scheme

Yield

Multi-step reaction with 7 steps
1: 81 percent / pyridine / 48 h / Ambient temperature
2: 68 percent / CrO3, 3,5-dimethylpyrazole / CH2Cl2 / 3 h / -20 °C
3: 83 percent / CeCl3*5H2O, NaBH4 / tetrahydrofuran; methanol / 0.08 h
4: 90 percent / pyridine / 1 h / 0 °C
5: 36 percent / conc. HCl / CHCl3; methanol / 25 h / Ambient temperature
6: 93 percent / Jones reagent / acetone / 0.08 h / Ambient temperature
7: 26 percent / aq. NaOH / tetrahydrofuran; methanol / 29 h / 60 °C
View Scheme

: 188175-90-8
Benzoic acid (3S,8R,9S,10R,13S,14S,17S)-17-acetoxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester

: 2487-48-1
5-androsten-3β,7β-diol-17-one

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: 68 percent / CrO3, 3,5-dimethylpyrazole / CH2Cl2 / 3 h / -20 °C 2: 83 percent / CeCl3*5H2O, NaBH4 / tetrahydrofuran; methanol / 0.08 h 3: 90 percent / pyridine / 1 h / 0 °C 4: 36 percent / conc. HCl / CHCl3; methanol / 25 h / Ambient temperature 5: 93 percent / Jones reagent / acetone / 0.08 h / Ambient temperature 6: 26 percent / aq. NaOH / tetrahydrofuran; methanol / 29 h / 60 °C View Scheme

Yield

Multi-step reaction with 6 steps
1: 68 percent / CrO3, 3,5-dimethylpyrazole / CH2Cl2 / 3 h / -20 °C
2: 83 percent / CeCl3*5H2O, NaBH4 / tetrahydrofuran; methanol / 0.08 h
3: 90 percent / pyridine / 1 h / 0 °C
4: 36 percent / conc. HCl / CHCl3; methanol / 25 h / Ambient temperature
5: 93 percent / Jones reagent / acetone / 0.08 h / Ambient temperature
6: 26 percent / aq. NaOH / tetrahydrofuran; methanol / 29 h / 60 °C
View Scheme

: 188176-01-4
Benzoic acid (3S,7R,8R,9S,10R,13S,14S,17S)-17-acetoxy-7-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester

: 2487-48-1
5-androsten-3β,7β-diol-17-one

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 90 percent / pyridine / 1 h / 0 °C 2: 36 percent / conc. HCl / CHCl3; methanol / 25 h / Ambient temperature 3: 93 percent / Jones reagent / acetone / 0.08 h / Ambient temperature 4: 26 percent / aq. NaOH / tetrahydrofuran; methanol / 29 h / 60 °C View Scheme

: 188176-03-6
Benzoic acid (3S,7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-7-isobutyryloxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester

: 2487-48-1
5-androsten-3β,7β-diol-17-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 93 percent / Jones reagent / acetone / 0.08 h / Ambient temperature 2: 26 percent / aq. NaOH / tetrahydrofuran; methanol / 29 h / 60 °C View Scheme

: 188176-00-3
17β-acetoxy-3β-benzoyloxy-5-androsten-7-one

: 2487-48-1
5-androsten-3β,7β-diol-17-one

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 83 percent / CeCl3*5H2O, NaBH4 / tetrahydrofuran; methanol / 0.08 h 2: 90 percent / pyridine / 1 h / 0 °C 3: 36 percent / conc. HCl / CHCl3; methanol / 25 h / Ambient temperature 4: 93 percent / Jones reagent / acetone / 0.08 h / Ambient temperature 5: 26 percent / aq. NaOH / tetrahydrofuran; methanol / 29 h / 60 °C View Scheme

: 188176-02-5
Benzoic acid (3S,7R,8R,9S,10R,13S,14S,17S)-17-acetoxy-7-isobutyryloxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester

: 2487-48-1
5-androsten-3β,7β-diol-17-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 36 percent / conc. HCl / CHCl3; methanol / 25 h / Ambient temperature 2: 93 percent / Jones reagent / acetone / 0.08 h / Ambient temperature 3: 26 percent / aq. NaOH / tetrahydrofuran; methanol / 29 h / 60 °C View Scheme

: 1449-61-2
3-O-acetyl-7-oxo-dehydroepiandrosterone

A: 2487-48-1, 7522-54-5, 62357-03-3, 53-00-9
3β,7α-dihydroxyandrost-5-ene-17-one

B: 2487-48-1
5-androsten-3β,7β-diol-17-one

: 521-17-5, 1963-03-7, 4593-57-1, 4593-58-2, 14504-94-0, 16895-59-3, 47122-33-8, 64162-67-0, 75767-22-5, 139973-51-6, 151284-19-4
5-androstenediol

A: 58-22-0
testosterone

B: 2487-48-1
5-androsten-3β,7β-diol-17-one

C: 2697-85-0, 62357-04-4, 2226-66-6
Androst-5-ene-3beta,7alpha,17beta-triol

D: 2697-85-0
5-androstene-3β,7β,17β-triol

Conditions

Conditions	Yield
With water In ethanol for 120h; Microbiological reaction;

...Expand

: 2487-48-1
5-androsten-3β,7β-diol-17-one

: 999-97-3
1,1,1,3,3,3-hexamethyl-disilazane

: 56210-85-6
3β,7β-bis-(trimethylsiloxy)-5-androsten-17-one

Conditions

Conditions	Yield
saccharin In acetonitrile for 8h; Reflux; Inert atmosphere; Industry scale;	81%
saccharin In acetonitrile for 8h; Reflux; Inert atmosphere;	81%

: 2487-48-1
5-androsten-3β,7β-diol-17-one

: 67576-47-0
3β,7β-diacetoxyandrost-5-en-17-one

: C24H32O3

Conditions

Conditions	Yield
With scandium tris(trifluoromethanesulfonate) In acetonitrile	78%

: 2487-48-1
5-androsten-3β,7β-diol-17-one

: 537718-07-3
3β,7β,11α-trihydroxy-5-androsten-17-one

Conditions

Conditions	Yield
With Apergillus ochraceus	75%
With Aspergillus ochraceus ATCC 18500 (NRRL 405) Microbiological reaction;

: 2487-48-1
5-androsten-3β,7β-diol-17-one

: 593-56-6
N-methoxylamine hydrochloride

: 81452-04-2
dimethylisopropylsilylimidazole

: (3S,7R,8R,9S,10R,13S,14S)-7-Hydroxy-3-(isopropyl-dimethyl-silanyloxy)-10,13-dimethyl-1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydro-cyclopenta[a]phenanthren-17-one O-methyl-oxime

Conditions

Conditions	Yield
Stage #1: 5-androsten-3β,7β-diol-17-one; N-methoxylamine hydrochloride In pyridine at 60℃; for 1h; Stage #2: dimethylisopropylsilylimidazole In pyridine at 60℃; for 0.5h;

...Expand

: 2487-48-1
5-androsten-3β,7β-diol-17-one

: 593-56-6
N-methoxylamine hydrochloride

: 62365-34-8
N-dimethylethylsilyl-imidazole

: (3S,7R,8R,9S,10R,13S,14S)-3-(Ethyl-dimethyl-silanyloxy)-7-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydro-cyclopenta[a]phenanthren-17-one O-methyl-oxime

Conditions

Conditions	Yield
Stage #1: 5-androsten-3β,7β-diol-17-one; N-methoxylamine hydrochloride In pyridine at 60℃; for 1h; Stage #2: N-dimethylethylsilyl-imidazole In pyridine at 60℃; for 0.5h;

...Expand

: 2487-48-1
5-androsten-3β,7β-diol-17-one

: 593-56-6
N-methoxylamine hydrochloride

: 18156-74-6
1-(Trimethylsilyl)imidazole

: (3S,7R,8R,9S,10R,13S,14S)-7-Hydroxy-10,13-dimethyl-3-trimethylsilanyloxy-1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydro-cyclopenta[a]phenanthren-17-one O-methyl-oxime

Conditions

Conditions	Yield
Stage #1: 5-androsten-3β,7β-diol-17-one; N-methoxylamine hydrochloride In pyridine at 60℃; for 1h; Stage #2: 1-(Trimethylsilyl)imidazole In pyridine at 60℃; for 0.5h;

...Expand

: 2487-48-1
5-androsten-3β,7β-diol-17-one

: (1S,2S,4aS,4bR,7S,10R,10aR)-1-Carboxymethyl-7,10-dihydroxy-2,4b-dimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-phenanthrene-2-carboxylic acid

Conditions

Conditions	Yield
With potassium hydroxide; iodine In methanol; water at 20℃; for 16h;

: 2487-48-1
5-androsten-3β,7β-diol-17-one

: 18162-48-6
tert-butyldimethylsilyl chloride

: 1016226-91-7
C31H56O3Si2

Conditions

Conditions	Yield
With 1H-imidazole In N,N-dimethyl-formamide at 20℃;

5-Androsten-3beta,7beta-diol-17-one Specification

The 5-Androsten-3beta,7beta-diol-17-one, with the CAS registry number 2487-48-1, has the systematic name of (3β,7β,8ξ,9ξ,14ξ)-3,7-dihydroxyandrost-5-en-17-one. It belongs to the product category of Steroid. And the molecular formula of the chemical is C₁₉H₂₈O₃.

The characteristics of 5-Androsten-3beta,7beta-diol-17-one are as followings: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 11; (6)ACD/BCF (pH 7.4): 11; (7)ACD/KOC (pH 5.5): 195; (8)ACD/KOC (pH 7.4): 195; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 57.53 Å²; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 84.626 cm³; (15)Molar Volume: 254.951 cm³; (16)Polarizability: 33.548×10^-24cm³; (17)Surface Tension: 50.195 dyne/cm; (18)Density: 1.194 g/cm³; (19)Flash Point: 254.138 °C; (20)Enthalpy of Vaporization: 84.887 kJ/mol; (21)Boiling Point: 473.271 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C3[C@]2(CCC1[C@@]4(C(=C/[C@H](O)C1C2CC3)\C[C@@H](O)CC4)C)C
(2)InChI: InChI=1/C19H28O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-15,17,20-21H,3-9H2,1-2H3/t12-,13?,14?,15-,17?,18-,19-/m0/s1
(3)InChIKey: OLPSAOWBSPXZEA-XAAWLDLRBV

Product Name

5-ANDROSTEN-3-BETA, 7-BETA-DIOL-17-ONE

Synthetic route

5-Androsten-3beta,7beta-diol-17-one Specification

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