Allopregnane-3beta,20beta-diol

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

Also Known As: ALLOPREGNANDIOL|Pregnandiol III|Allopregnane-3beta,20beta-diol|Hydroxydione succinate|EINECS 208-223-7|(20R)-5alpha-Pregnane-3beta,20-diol|Allopregnan-3beta,20beta-diol|5alpha-Pregnane-3beta,20beta-diol|allo-Pregnan-3beta,20beta-diol|Allopregnane-3-beta,20-beta-diol|5alpha-Pregnane-3beta,20alpha-diol|Epiallopregnanediol 3-sodium sulphate|ALLOPREGNANE-3.BETA.,20.BETA.-DIOL|Pregnane-3,20-diol, (3b,5a,20R)-|(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol|3-beta,20-beta-dihydroxy-5-alpha-pregnane|(3-beta,5-alpha,20R)-Pregnane-3,20-diol|ALLOPREGNANE-3.BETA.,20.BETA.-DIOL [MI]|3BETA,20BETA-DIHYDROXY-5ALPHA-PREGNANE|PREGNANE-3,20-DIOL, (3.BETA.,5.ALPHA.,20R)-|PREGNANE-3,20-DIOL, (3BETA,5ALPHA,20R)-|(1S,3aS,3bR,5aS,7S,9aS,9bS,11aS)-1-[(1R)-1-hydroxyethyl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-ol|(3S,5S,8R,9S,10S,13S,14S,17S)-17-((1R)-1-hydroxyethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta(a)phenanthren-3-ol|208-223-7|5alpha-Pregnane-3beta-20beta-diol; Pregnane-3,20-diol, (3ss,5a,20R)-; 5a-Pregnane-3ss,20ss-diol (8CI); 3ss,20ss-Dihydroxy-5a-pregnane; 5a-Pregnane-3ss,20(R)-diol; Allopregnane-3ss,20ss-diol; Pregnandiol III

Molecular Formula	C21H36O2
Molecular Weight	320.27155 g/mol
LogP	4.387
Topological Polar Surface Area	40.46 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	2
Rotatable Bonds	1
Exact Mass	320.27155
Monoisotopic Mass	320.27155
Heavy Atoms	23
Complexity	460.75793

Chemical Identifiers

CAS Number	516-53-0
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)O)C)C)O