Estrynamine
(8R,9S,13S,14S,17S)-17-(3-aminoprop-1-ynyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
| Molecular Formula | C21H27NO2 |
|---|---|
| Molecular Weight | 325.4 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 66.5 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 325.2042 |
| Heavy Atoms | 24 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 115058-60-1 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2(C#CCN)O)CCC4=C3C=CC(=C4)O |
| InChIKey | KEJIBDQSDKTWLS-MJCUULBUSA-N |
📖 Product Overview
Estrynamine (CAS: 115058-60-1) is a chemical compound with molecular formula C21H27NO2 and molecular weight 325.4 g/mol. Its IUPAC systematic name is (8R,9S,13S,14S,17S)-17-(3-aminoprop-1-ynyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol.
KEJIBDQSDKTWLS-MJCUULBUSA-N.
SMILES: CC12CCC3C(C1CCC2(C#CCN)O)CCC4=C3C=CC(=C4)O.
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