Allopregnane-3beta,17alpha-diol-20-one 3-acetate

[(3S,5S,8R,9S,10S,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate

Also Known As: Allopregnane-3beta,17alpha-diol-20-one 3-acetate|Allopregnane-3beta,17alpha-diol-20-one 3-acetate [MI]|Pregnan-20-one, (3.beta.,5.alpha.)-|17-Hydroxy-20-oxopregnan-3-yl acetate #|Pregnan-20-one, 3-(acetyloxy)-17-hydroxy-, (3beta,5alpha)-|5|A-pregnan-20-one, 3|A,17-dihydroxy-, 3-acetate|Pregnan-20-one, 3-(acetyloxy)-17-hydroxy-, (3.beta.,5.alpha.)-|3beta-Acetyloxy-17-hydroxy-5alpha-pregnan-20-one|5.alpha.-Pregnan-20-one,17-dihydroxy-, 3-acetate|5|A-pregnan-20-one,3|A,17-dihydroxy-,3-acetate|5.alpha.-Pregnan-20-one, 3.beta.,17-dihydroxy-, 3-acetate|ALLOPREGNANE-3.BETA.,17.ALPHA.-DIOL-20-ONE 3-ACETATE|ALLOPREGNANE-3.BETA.,17.ALPHA.-DIOL-20-ONE 3-ACETATE [MI]|[(3S,5S,8R,9S,10S,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate|3.beta.,17.alpha.-Dihydroxy-5.alpha.-pregnan-20-one 3-acetate|Pregnan-20-one, 3- (acetyloxy)-17-hydroxy-, (3.beta.,5.alpha.)-|((3S,5S,8R,9S,10S,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta(a)phenanthren-3-yl) acetate|(1R,3aS,3bR,5aS,7S,9aS,9bS,11aS)-1-acetyl-1-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl acetate

Molecular Formula	C23H36O4
Molecular Weight	376.26135 g/mol
LogP	4.3
Topological Polar Surface Area	63.6 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	376.26135
Monoisotopic Mass	376.26135
Heavy Atoms	27
Complexity	644.0

Chemical Identifiers

CAS Number	6315-97-5
SMILES	CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)O
InChIKey	TVQDBRRFOFGWDS-LQHFQCQCSA-N