pregnanediol
(8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3-diol
Also Known As: pregnanediol|Pregnane-3,3-diol|Pregnanediol (VAN)|(8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3-diol
CAS: 26445-07-8
| Molecular Formula | C21H36O2 |
|---|---|
| Molecular Weight | 320.27155 g/mol |
| LogP | 4.7362 |
| 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 | 472.46204 |
Chemical Identifiers
| CAS Number | 26445-07-8 |
|---|---|
| SMILES | CC[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CCC(C4)(O)O)C)C |
Product Overview
pregnanediol (CAS 26445-07-8), with molecular formula C21H36O2 and molecular weight 320.27155 g/mol. IUPAC: (8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3-diol.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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