Gestrinone
(8S,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
| Molecular Formula | C21H24O2 |
|---|---|
| Molecular Weight | 308.4 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 37.3 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.17764 |
| Heavy Atoms | 23 |
| Complexity | 713.0 |
Chemical Identifiers
| CAS Number | 16320-04-0 |
|---|---|
| SMILES | CCC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2(C#C)O |
| InChIKey | BJJXHLWLUDYTGC-ANULTFPQSA-N |
📖 Product Overview
Gestrinone (CAS: 16320-04-0) is a chemical compound with molecular formula C21H24O2 and molecular weight 308.4 g/mol. Its IUPAC systematic name is (8S,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one.
BJJXHLWLUDYTGC-ANULTFPQSA-N.
SMILES: CCC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2(C#C)O.
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