PREGNANETRIOL
(3R,5R,8R,9S,10S,13S,14S,17R)-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: PREGNANETRIOL|5-beta-Pregnane-3,17,20-triol|5beta-Pregnane-3alpha,17,20-triol|(3R,5R,8R,9S,10S,13S,14S,17R)-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol|(1R,3aS,3bR,5aR,7R,9aS,9bS,11aS)-1-(1-hydroxyethyl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-1,7-diol
| Molecular Formula | C21H36O3 |
|---|---|
| Molecular Weight | 336.26645 g/mol |
| LogP | 3.5019 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 336.26645 |
| Monoisotopic Mass | 336.26645 |
| Heavy Atoms | 24 |
| Complexity | 505.31232 |
Chemical Identifiers
| CAS Number | 27178-64-9 |
|---|---|
| SMILES | CC([C@]1(CC[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)O |
Product Overview
PREGNANETRIOL (CAS 27178-64-9), with molecular formula C21H36O3 and molecular weight 336.26645 g/mol. IUPAC: (3R,5R,8R,9S,10S,13S,14S,17R)-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol.
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