(3beta,5alpha)-3-Hydroxypregnane-11,20-dione
(3S,5S,8S,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
Also Known As: Betaxalone|Alfaxalone|Alfaxalone Impurity 2|EINECS 209-996-3|3-beta-Hydroxy-5-alpha-pregnane-11,20-dione|3beta-Hydroxy-5alpha-pregnane-11,20-dione|A-pregnane-11,20-dione, 3|A-hydroxy-|(3beta,5alpha)-3-hydroxypregnane-11,20-dione|5.alpha.-Pregnane-11,20-dione, 3.beta.-hydroxy-|3.beta.-Hydroxy-5.alpha.-pregnan-11,20-dione|(3I(2),5I+/-)-3-Hydroxypregnane-11,20-dione|3-.beta.-Hydroxy-5-.alpha.-pregnane-11,20-dione|Pregnane-11,20-dione, 3-hydroxy-, (3.beta.,5.alpha.)-|3-Hydroxypregnane-11,20-dione-, (3.beta.,5.alpha.)-|(8S,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1|(1S,3aS,3bS,5aS,7S,9aS,9bS,11aS)-1-acetyl-7-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-10-one|(3S,5S,8S,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one|(3S,5S,8S,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethylhexadecahydro-11H-cyclopenta[a]phenanthren-11-one|(8S,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one|209-996-3
| Molecular Formula | C21H32O3 |
|---|---|
| Molecular Weight | 332.23514 g/mol |
| LogP | 3.77 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 332.23514 |
| Heavy Atoms | 24 |
| Complexity | 569.4 |
Chemical Identifiers
| CAS Number | 600-59-9 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C |
Product Overview
(3beta,5alpha)-3-Hydroxypregnane-11,20-dione (CAS 600-59-9), with molecular formula C21H32O3 and molecular weight 332.23514 g/mol. IUPAC: (3S,5S,8S,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one.
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