Allopregnane-3beta,20alpha-diol diacetate

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

Also Known As: Allopregnane-3beta,20alpha-diol diacetate|Allopregnan-3beta,20alpha-diol diacetate|EINECS 228-214-1|Allopregnan-?3b,?20a-?diol Diacetate|(20S)-5alpha-Pregnane-3beta,20-diol diacetate|ALLOPREGNAN-3beta,20alpha-DIOLDIACETATE|Allopregnan-3.beta.,20.beta.-diol diacetate|5ALPHA-PREGNAN-3BETA,20ALPHA-DIOL DIACETATE|ALLOPREGNANE-3.BETA.,20.ALPHA.-DIOL DIACETATE|[(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-acetyloxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate|ALLOPREGNANE-3.BETA.,20.ALPHA.-DIOL DIACETATE [MI]|PREGNANE-3,20-DIOL, DIACETATE, (3.BETA.,5.ALPHA.,20S)-|(3?,5?,20S)-Pregnane-3,20-diol Diacetate; Allopregnane-3?,20?-diol Diacetate;|(1S)-1-[(1S,3aS,3bR,5aS,7S,9aS,9bS,11aS)-7-(acetyloxy)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]ethyl acetate

Molecular Formula	C25H40O4
Molecular Weight	404.29266 g/mol
LogP	5.5286
Topological Polar Surface Area	52.6 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	404.29266
Monoisotopic Mass	404.29266
Heavy Atoms	29
Complexity	659.2088

Chemical Identifiers

CAS Number	6170-08-7
SMILES	C[C@@H]([C@H]1CC[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)OC(=O)C