mestranol
(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
| Molecular Formula | C21H26O2 |
|---|---|
| Molecular Weight | 310.4 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 29.5 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.19327 |
| Heavy Atoms | 23 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 72-33-3 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC |
| InChIKey | IMSSROKUHAOUJS-MJCUULBUSA-N |
📖 Product Overview
mestranol (CAS: 72-33-3) is a chemical compound with molecular formula C21H26O2 and molecular weight 310.4 g/mol. Its IUPAC systematic name is (8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol.
IMSSROKUHAOUJS-MJCUULBUSA-N.
SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC.
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