(3beta,17alpha)-Estr-4-ene-3,17-diol
(3S,8R,9S,10R,13S,14S,17R)-13-methyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: DEMETRIC ACID|(3beta,17alpha)-Estr-4-ene-3,17-diol
CAS: 64013-72-5
| Molecular Formula | C18H28O2 |
|---|---|
| Molecular Weight | 276.20892 g/mol |
| LogP | 3.2809 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 276.20892 |
| Monoisotopic Mass | 276.20892 |
| Heavy Atoms | 20 |
| Complexity | 429.13416 |
Chemical Identifiers
| CAS Number | 64013-72-5 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=C[C@H](CC[C@H]34)O |
Product Overview
(3beta,17alpha)-Estr-4-ene-3,17-diol (CAS 64013-72-5), with molecular formula C18H28O2 and molecular weight 276.20892 g/mol. IUPAC: (3S,8R,9S,10R,13S,14S,17R)-13-methyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-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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