5-alpha-Dihydroprogesterone supplier

Name
5-alpha-Dihydroprogesterone
EINECS 209-297-3
CAS No. 566-65-4
Article Data62
CAS DataBase
Density 1.048 g/cm³
Solubility
Melting Point 200 °C
Formula C₂₁H₃₂O₂
Boiling Point 429.2 °C at 760 mmHg
Molecular Weight 316.484
Flash Point 160.3 °C
Transport Information
Appearance White solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5a-Pregnane-3,20-dione (8CI);5a-Pregnanedione (7CI);(+)-(5a)-Pregnane-3,20-dione;3,20-Allopregnanedione;3,20-Dioxo-5a-pregnane;5a-Dihydroprogesterone;NSC 18319;
PSA 34.14000
LogP 4.80340

Synthetic route

: 516-53-0
(20R)-5α-Pregnandiol-(3β.20)

: 566-65-4
dihydroprogesterone

Conditions

Conditions	Yield
With Jones reagent In acetone at 10℃;	96%
With chromium(VI) oxide; acetic acid

: 7680-01-5
3β-methoxy-5α-pregnane-20-one

: 566-65-4
dihydroprogesterone

Conditions

Conditions	Yield
With 3,3-dimethyldioxirane In acetone for 18h; Ambient temperature;	95%

: 6170-12-3
5α-pregnanedione-(3,20)-dioxime

: 566-65-4
dihydroprogesterone

Conditions

Conditions	Yield
With acetyl chloride; sodium nitrite In dichloromethane at 20℃;	90%

: 57-83-0
Progesterone

A: 566-65-4
dihydroprogesterone

B: 15114-79-1
20-hydroxy-Δ4-progest-3-one

Conditions

Conditions	Yield
With N,N,N,N,N,N-hexamethylphosphoric triamide; methylcopper; diisobutylaluminium hydride In tetrahydrofuran; diethyl ether; hexane at -50℃; for 2h;	A 84% B 5.9%

: 1-((3S,5S,8R,9S,10S,13S,14S,17S)-3-Benzyloxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-ethanone

: 566-65-4
dihydroprogesterone

Conditions

Conditions	Yield
With 3,3-dimethyldioxirane In acetone for 18h; Ambient temperature;	82%

: 516-55-2
isopregnanolone

: 566-65-4
dihydroprogesterone

Conditions

Conditions	Yield
With sodium hypochlorite; acetic acid; sodium bromide In tetrahydrofuran at 20 - 40℃; for 2h;	81%
With sodium hypochlorite; sodium bromide In water; acetic acid at 20℃; for 2h;	79%
With chromium(VI) oxide; acetic acid

: 57-83-0
Progesterone

A: 566-65-4
dihydroprogesterone

B: 128-23-4
pregnanedione

C: 40135-22-6
allopregnanolone

D: 4320-08-5
3-hydroxy-5β-pregnan-20-one

Conditions

Conditions	Yield
With hydrogen; Cu/Al2O3 In toluene at 60℃; under 760 Torr;	A 14% B 49% C 2% D 8%

...Expand

: 57-83-0
Progesterone

: 566-65-4
dihydroprogesterone

Conditions

Conditions	Yield
In ethanol at 24 - 26℃; for 96h; Penicillium decumbens ATCC 10436, potato dextrose broth;	45%
With Chlorella vulgaris C211/8k; 4,4'-butylidenebis(6-tert-butyl-m-cresol) at 20℃; for 360h; Reduction; illumination;	17.3%
With Penicillium digitatum MRC 500787; MYB medium (malt extract 2percent, glucose 1percent, bacteriological peptone 1percent, yeast extract 0.3percent) In N,N-dimethyl-formamide at 24℃; for 120h;	12.3%

: 566-88-1
dihydrocholesterone

A: 566-65-4
dihydroprogesterone

B: 69483-56-3
5α-cholestane-3,11-dione

C: 2243-09-6
5α-cholestane-3,6-dione

D: 13400-67-4
3,7-dioxo-5α-cholestane

Conditions

Conditions	Yield
With pyridine; oxygen; acetic acid; zinc; iron In water for 5h; Ambient temperature; Gif system; Further byproducts given;	A 4.6% B 1.1% C 4.1% D 3.8%

...Expand

: 566-88-1
dihydrocholesterone

A: 566-65-4
dihydroprogesterone

B: 2243-09-6
5α-cholestane-3,6-dione

C: 13400-67-4
3,7-dioxo-5α-cholestane

D: 108393-74-4
(5S,8R,9S,10S,13S,14S,17R)-17-((R)-1,5-Dimethyl-hexyl)-10,13-dimethyl-tetradecahydro-cyclopenta[a]phenanthrene-3,16-dione

Conditions

Conditions	Yield
With pyridine; oxygen; acetic acid; zinc; iron In water for 5h; Ambient temperature; Gif system; Further byproducts given;	A 4.6% B 4.1% C 3.8% D 2.1%

...Expand

: 566-88-1
dihydrocholesterone

A: 566-65-4
dihydroprogesterone

B: 2243-09-6
5α-cholestane-3,6-dione

C: 13400-67-4
3,7-dioxo-5α-cholestane

D: 41882-89-7
(5S,8R,9S,10S,13R,14S,17R)-17-((R)-1,5-Dimethyl-hexyl)-10,13-dimethyl-tetradecahydro-cyclopenta[a]phenanthrene-3,12-dione

Conditions

Conditions	Yield
With pyridine; oxygen; acetic acid; zinc; iron In water for 5h; Ambient temperature; Gif system; Further byproducts given;	A 4.6% B 4.1% C 3.8% D 1%

...Expand

: 566-88-1
dihydrocholesterone

A: 566-65-4
dihydroprogesterone

B: 2243-09-6
5α-cholestane-3,6-dione

C: 13400-67-4
3,7-dioxo-5α-cholestane

D: 73389-50-1
5α,14α-cholestane-3,15-dione

Conditions

Conditions	Yield
With pyridine; oxygen; acetic acid; zinc; iron In water for 5h; Ambient temperature; Gif system; Further byproducts given;	A 4.6% B 4.1% C 3.8% D 3.3%

...Expand

: 67-56-1
methanol

: 51154-65-5
(5α,17βH)-pregnane-3,20-dione

: 124-41-4
sodium methylate

: 566-65-4
dihydroprogesterone

...Expand

: 145-13-1, 566-63-2, 19037-28-6, 38372-24-6
1-(3-Hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-ethanone

: 566-65-4
dihydroprogesterone

Conditions

Conditions	Yield
With palladium on activated charcoal Hydrogenation.anschliessende Oxidation mit CrO3;

: 57-83-0
Progesterone

A: 566-65-4
dihydroprogesterone

B: 128-23-4
pregnanedione

Conditions

Conditions	Yield
With hydrogen; palladium In pyridine at 25℃; under 760 Torr; Rate constant; selectivity to 5β compound;
With hydrogen bromide; hydrogen; palladium In tetrahydrofuran at 25℃; under 760 Torr; Rate constant; selectivity to 5β compound;
With acetic acid; platinum Hydrogenation.Behandlung des Reaktionsprodukts mit CrO3 in Essigsaeure bei 15-20grad;

: 145-13-1
Pregnenolone

: 566-65-4
dihydroprogesterone

Conditions

Conditions	Yield
With acetic acid; platinum Hydrogenation.anschliessende Behandlung mit CrO3 in Essigsaeure;
Multi-step reaction with 2 steps 1: 90 percent / H2 / Pd/C / tetrahydrofuran; acetic acid / 8 h / 50 - 60 °C / 3102.89 Torr 2: 79 percent / NaOCl; NaBr / acetic acid; H2O / 2 h / 20 °C View Scheme
Multi-step reaction with 2 steps 1: palladium 10% on activated carbon; hydrogen / ethanol / 12 h / 40 °C / 2327.23 Torr 2: Dess-Martin periodane / dichloromethane / 3 h / 0 - 25 °C View Scheme
Multi-step reaction with 2 steps 1: palladium 10% on activated carbon; hydrogen; acetic acid / tetrahydrofuran / 60 °C / 3102.97 Torr 2: acetic acid; sodium bromide; sodium hypochlorite / tetrahydrofuran / 2 h / 20 - 40 °C View Scheme

: 1778-02-5
Pregnenolone acetate

: 566-65-4
dihydroprogesterone

Conditions

Conditions	Yield
With acetic acid; platinum Hydrogenation.Erhitzen des Hydrierungsprodukts mit methanol. KOH und Behandeln des Reaktionsprodukts mit CrO3 in Essigsaeure bei 20grad;
Multi-step reaction with 3 steps 1: H2 / 10 percent Pd/C View Scheme

: 516-55-2
isopregnanolone

A: 566-65-4
dihydroprogesterone

B: 26654-59-1
20-oxo-2,3-seco-5α-pregnanedioic acid-(2,3)

Conditions

Conditions	Yield
With chromium(VI) oxide; acetic acid

: 566-56-3
5α-pregnan-3β,20α-diol

: 566-65-4
dihydroprogesterone

Conditions

Conditions	Yield
With chromium(VI) oxide; acetic acid

: 566-58-5
5α-pregnane-3α,20α-diol

: 566-65-4
dihydroprogesterone

Conditions

Conditions	Yield
With chromium(VI) oxide; acetic acid

: 516-54-1
tetrahydroprogesterone

: 566-65-4
dihydroprogesterone

Conditions

Conditions	Yield
With chromium(VI) oxide; acetic acid
With NAD:3α-hydroxy-5α-pregnane-20-one oxidoreductase; NAD at 37℃;
With oxygen; sodium acetate In water; Diethyl carbonate at 100℃; under 37503.8 Torr; for 4h; Autoclave;

: 13164-11-9
5α-H-pregn-16-ene-3,20-dione

: 566-65-4
dihydroprogesterone

Conditions

Conditions	Yield
With Pd-BaSO4; diethyl ether Hydrogenation;
With Pd-BaSO4; ethanol Hydrogenation;
With acetic acid; zinc at 100℃;

: 57-83-0
Progesterone

A: 566-65-4
dihydroprogesterone

B: 128-23-4
pregnanedione

C: 63-05-8
Androstenedione

D: 68-96-2
17-hydroxyprogesterone

Conditions

Conditions	Yield
With D-glucose; Dulbecco phosphate buffer at 37℃; for 22h; Product distribution; metabolism after incubation of blastoderms of fertilized eggs of White Leghorn hens;

...Expand

: 57-83-0
Progesterone

A: 566-65-4
dihydroprogesterone

B: 516-55-2
isopregnanolone

C: 145-14-2
(20S)-20-hydroxypregn-4-en-3-one

D: 566-56-3
5α-pregnan-3β,20α-diol

Conditions

Conditions	Yield
With Tris buffer at 37℃; for 2h; Product distribution; metabolism in human endometrial adenocarcinoma cells (HEC-1 line), 14C- and 3H-labeled in dependence on time;

...Expand

: 145-13-1
Pregnenolone

A: 57-83-0
Progesterone

B: 566-65-4
dihydroprogesterone

C: 128-23-4
pregnanedione

Conditions

Conditions	Yield
With D-glucose; Dulbecco phosphate buffer at 37℃; for 22h; Product distribution; metabolism after incubation of blastoderms of fertilized eggs of White Leghorn hens;

...Expand

: 2α-(1-pyridinio)-5α-pregnane-3,20-dione bromide

A: 57-83-0
Progesterone

B: 566-65-4
dihydroprogesterone

C: 128-23-4
pregnanedione

D: 65556-93-6
(5S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one

E: (5R,8S,9S,10R,13S,14S,17S)-17-Acetyl-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one

Conditions

Conditions	Yield
With pyridine at 280℃; under 1520 Torr; Product distribution; pyrolysis in GLC vaporizer, various additives (without, 2,4,6-collidine), other temperature (250 deg C);	A 51.5 % Chromat. B 11.9 % Chromat. C 2.2 % Chromat. D 26.4 % Chromat. E 3.1 % Chromat.

...Expand

: 1-((8S,9S,10R,13S,14S,17S)-17-Acetyl-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-ylidene)-pyrrolidinium; perchlorate

A: 566-65-4
dihydroprogesterone

B: 128-23-4
pregnanedione

Conditions

Conditions	Yield
With 1-Benzyl-1,4-dihydronicotinamide; water 1.) acetonitrile, 40 h, reflux 2.) acetonitrile, reflux, 1 h; Multistep reaction. Yields of byproduct given;
With 1-Benzyl-1,4-dihydronicotinamide; water 1.) acetonitrile, 40 h, reflux 2.) acetonitrile, reflux, 1 h; Multistep reaction;

3-hydroxy-pregna-5,16-dion-20-one: 3-hydroxy-pregna-5,16-dion-20-one

: 566-65-4
dihydroprogesterone

Conditions

Conditions	Yield
With palladium on activated charcoal Hydrogenation.anschliessende Oxidation mit CrO3;

: 516-55-2
isopregnanolone

: 64-19-7
acetic acid

CrO3: CrO3

: 566-65-4
dihydroprogesterone

...Expand

: 566-65-4
dihydroprogesterone

: 23726-00-3
<2H9>trimethylsulphoxonium iodide

: 1-((3R,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethylhexadecahydrospiro[cyclopenta[a]phenanthrene-3,2'-oxiran]-17-yl-3',3'-d2)ethan-1-one

Conditions

Conditions	Yield
Stage #1: <2H9>trimethylsulphoxonium iodide With potassium tert-butylate In dimethylsulfoxide-d6 at 60℃; for 1h; Inert atmosphere; Stage #2: dihydroprogesterone In dimethylsulfoxide-d6 at 20℃;	99%

: 7381-30-8
2,2,7,7-tetramethyl-3,6-dioxa-2,7-disilaoctane

: 566-65-4
dihydroprogesterone

: 98632-74-7
C23H36O3

Conditions

Conditions	Yield
With trimethylsilyl trifluoromethanesulfonate In dichloromethane at -78℃; for 6h;	94%

: 566-65-4
dihydroprogesterone

: 1774-47-6
trimethylsulfoxonium iodide

: 148256-45-5
1-((2’R,8R,10S,13S,14S,17S)-10,13-dimethylhexadecahydrospiro[cyclopenta[a]phenanthrene-3,2’-oxiran]-17-yl)ethanone

Conditions

Conditions	Yield
Stage #1: trimethylsulfoxonium iodide In dimethyl sulfoxide at 65℃; for 2h; Inert atmosphere; Stage #2: dihydroprogesterone In dimethyl sulfoxide at 20 - 35℃; for 2h; Inert atmosphere;	94%
Stage #1: trimethylsulfoxonium iodide With potassium tert-butylate In dimethyl sulfoxide at 60℃; for 1h; Inert atmosphere; Stage #2: dihydroprogesterone In dimethyl sulfoxide at 20℃;	87%
With potassium tert-butylate In dimethyl sulfoxide at 20℃; for 5h;	75%
With sodium hydride 1.) DMSO, RT, 1 h, 2.) DMSO, 2.5 h; Yield given. Multistep reaction;

: 566-65-4
dihydroprogesterone

: 6750-73-8
anti-3-oxime of 5α-pregnane-3,20-dione

Conditions

Conditions	Yield
With pyridine; hydroxylamine hydrochloride at 0℃; for 3h;	92%

: 566-65-4
dihydroprogesterone

: 676-58-4
methylmagnesium chloride

: 38398-32-2
ganaxolone

Conditions

Conditions	Yield
Stage #1: methylmagnesium chloride With iron(III) chloride; lithium chloride In tetrahydrofuran at -35℃; Stage #2: dihydroprogesterone In tetrahydrofuran at -35 - -18℃; for 3h; Stage #3: With hydrogenchloride; water In tetrahydrofuran at 25℃; Product distribution / selectivity;	91%

: 566-65-4
dihydroprogesterone

: 2R-(+)-2α-fluoro-5α-pregnane-3,20-dione

Conditions

Conditions	Yield
With ent-9-amino(9-deoxy)epi-hydroquinine; sodium carbonate; N-fluorobis(benzenesulfon)imide; trichloroacetic acid In tetrahydrofuran; dichloromethane at -10℃; for 48h; Inert atmosphere; optical yield given as %de; diastereoselective reaction;	91%

: 566-65-4
dihydroprogesterone

: 848-62-4
allopregnan-20-one

Conditions

Conditions	Yield
With zinc In acetic acid at 15℃; for 0.25h; ultrasonic irradiation;	90%
With hydrogenchloride; zinc

: 67-56-1
methanol

: 566-65-4
dihydroprogesterone

: 18003-79-7
3,3-dimethoxy-5α-pregnan-20-one

Conditions

Conditions	Yield
With toluene-4-sulfonic acid at 20 - 60℃; for 1h;	90%
With hydrogen; Wilkinson's catalyst
With toluene-4-sulfonic acid Heating;
With toluene-4-sulfonic acid In methanol at 25 - 65℃; for 1h;

: 566-65-4
dihydroprogesterone

: 185041-91-2
(5S,6R,8R,9S,10R,13S,14S,17R)-17-Acetyl-2,2,6,17-tetrachloro-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-one

Conditions

Conditions	Yield
With manganese(IV) oxide; acetic acid; acetyl chloride Ambient temperature;	90%

: 566-65-4
dihydroprogesterone

: 75-16-1
methylmagnesium bromide

: 38398-32-2
ganaxolone

Conditions

Conditions	Yield
Stage #1: methylmagnesium bromide With iron(III) chloride; lithium chloride In tetrahydrofuran; diethyl ether at -35 - -30℃; for 0.5h; Stage #2: dihydroprogesterone In tetrahydrofuran; diethyl ether at -20 - -15℃; for 2h;	81%
In toluene at -70℃; for 2h;	0.3 g

: 566-65-4
dihydroprogesterone

: 65556-93-6
(5S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one

Conditions

Conditions	Yield
With oxygen; palladium diacetate; trifluoroacetic acid In dimethyl sulfoxide at 80℃; for 8h; Sealed tube;	81%

: 566-65-4
dihydroprogesterone

: 925-90-6
ethylmagnesium bromide

: C23H38O2

Conditions

Conditions	Yield
Stage #1: dihydroprogesterone With 2,4,6-tri-tert-butylphenoxol; trimethylaluminum In toluene at -70 - 0℃; for 1h; Inert atmosphere; Stage #2: ethylmagnesium bromide In diethyl ether; toluene at -70℃; for 1h;	78%

: 566-65-4
dihydroprogesterone

: 3034-19-3
(2-nitrophenyl)hydrazine

: bis-(o.nitro)fenilidrazone del 5α-pregnan-3,20-dione

Conditions

Conditions	Yield
In ethanol for 0.5h; Heating;	73%

: 566-65-4
dihydroprogesterone

: 4301-14-8
acetylenemagnesium bromide

A: 178885-91-1
UC2003

B: 162883-06-9
UC2002

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃;	A 13% B 72%

...Expand

: 566-65-4
dihydroprogesterone

: 22737-33-3
N-Methyl-N,O-bis(trimethylsilyl)hydroxylamine

: 132734-44-2
C22H35NO2

Conditions

Conditions	Yield
In benzene Heating;	71%

: 566-65-4
dihydroprogesterone

A: 516-55-2
isopregnanolone

B: 516-54-1
tetrahydroprogesterone

Conditions

Conditions	Yield
With trimethylamine-borane; silica gel; iron(III) chloride In benzene for 2h; Product distribution; Ambient temperature; various catalysts and times;	A 66.4% B 32.5%
With trimethylamine-borane; silica gel; iron(III) chloride In benzene for 2h; Ambient temperature;	A 66.4% B 32.5%
With ethanol; nickel Hydrogenation;
With morpholine-borane In toluene at 23℃; for 1.5h; Title compound not separated from byproducts;

: 566-65-4
dihydroprogesterone

: 104-94-9
4-methoxy-aniline

: (5S,8S,9S,10S,13S,14S,17S)-17-acetyl-2-(4-methoxyphenylamino)-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one

Conditions

Conditions	Yield
With 2,2,6,6-tetramethyl-piperidine; trifluorormethanesulfonic acid; oxygen In m-xylene at 130℃; under 760.051 Torr; for 4h; regioselective reaction;	66%

: 566-65-4
dihydroprogesterone

: 516-54-1
tetrahydroprogesterone

Conditions

Conditions	Yield
Stage #1: dihydroprogesterone With potassium tri-sec-butyl-borohydride In tetrahydrofuran at -78℃; for 5h; Stage #2: With sodium hydroxide; dihydrogen peroxide at 20℃; for 2h;	63%
With potassium phosphate buffer; 1,4-dihydronicotinamide adenine dinucleotide; NAD:3-α-hydroxy-5α-pregnan-20-one oxidoreductase at 37℃;
With hydrogen bromide; acetic acid; platinum Hydrogenation.unter Erwaermen und Behandlung des Reaktionsprodukts mit methanol. KOH bei Siedetemperatur;

: 566-65-4
dihydroprogesterone

A: 516-54-1
tetrahydroprogesterone

B: 1-((3R,5S,8R,9S,10S,13S,14S,17R)-3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-ethanone

Conditions

Conditions	Yield
With phosphonic Acid; hydrogen hexachloroiridate In water; isopropyl alcohol	A 60% B 12%

: 566-65-4
dihydroprogesterone

: 6656-43-5
2α-bromo-5α-pregnane-3,20-dione

Conditions

Conditions	Yield
With hydrogen bromide; bromine In acetic acid for 0.25h;	57%
With hydrogen bromide; bromine; acetic acid at 20℃;

: 6479-18-1
1-methyl-2(1H)-quinoxalinone

: 566-65-4
dihydroprogesterone

: 3-((E)-2-((5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-1-(hydroxyimino)-2-oxoethyl)-1-methylquinoxalin-2(1H)-one

Conditions

Conditions	Yield
With tert.-butylnitrite; methanesulfonic acid at 20℃; for 6h;	40%
With tert.-butylnitrite; trifluoroacetic acid In dichloromethane at 20℃; for 6h;	32%

: 566-65-4
dihydroprogesterone

: C21H33(2)HO2

Conditions

Conditions	Yield
With sodium borodeuteride; sodium hydroxide In pyridine; methanol; water at 0 - 10℃; for 0.5h; Cooling with ice;	35%

5-alpha-Dihydroprogesterone Specification

The 5-alpha-Dihydroprogesterone, with the CAS registry number 566-65-4, is also known as Pregnane-3,20-dione, (5-alpha)- (9CI). It belongs to the product category of Steroids. Its EINECS registry number is 209-297-3. This chemical's molecular formula is C₂₁H₃₂O₂ and molecular weight is 316.48. Its IUPAC name is called (5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one. This chemical's classification codes are Drug / Therapeutic Agent; Hormone.

Physical properties of 5-alpha-Dihydroprogesterone: (1)ACD/LogP: 4.31; (2)ACD/LogD (pH 5.5): 4.31; (3)ACD/LogD (pH 7.4): 4.31; (4)ACD/BCF (pH 5.5): 1115.92; (5)ACD/BCF (pH 7.4): 1115.92; (6)ACD/KOC (pH 5.5): 5285.61; (7)ACD/KOC (pH 7.4): 5285.61; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.515; (11)Molar Refractivity: 91.11 cm³; (12)Molar Volume: 301.8 cm³; (13)Surface Tension: 37.2 dyne/cm; (14)Density: 1.048 g/cm³; (15)Flash Point: 160.3 °C; (16)Enthalpy of Vaporization: 68.44 kJ/mol; (17)Boiling Point: 429.2 °C at 760 mmHg; (18)Vapour Pressure: 1.43E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C
(2)Isomeric SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C
(3)InChI: InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16-,17+,18-,19-,20-,21+/m0/s1
(4)InChIKey: XMRPGKVKISIQBV-BJMCWZGWSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	intraperitoneal	80mg/kg (80mg/kg)		Journal of Medicinal Chemistry. Vol. 11, Pg. 117, 1968.
mouse	LDLo	intravenous	10mg/kg (10mg/kg)		Journal of Medicinal Chemistry. Vol. 11, Pg. 117, 1968.

Product Name

5-alpha-Dihydroprogesterone

Synthetic route

5-alpha-Dihydroprogesterone Specification

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