4-Hydroxyequilenin
(13S,14S)-3,4-dihydroxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one
Also Known As: 4-Hydroxyequilenin|4-hydroxy-equilenin|3,4-dihydroxyestra-1,3,5(10),6,8-pentaen-17-one|SID:53787666|3,4-Dihydroxyestra-1,3,5,7,9-penten-17-one|Estra-1,3,5,7,9-pentaen-17-one, 3,4-dihydroxy-|3,4-Dihydroxyestra-1,3,5,7,9-pentaen-17-one|(13S,14S)-3,4-dihydroxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one|(3aS,11aS)-6,7-dihydroxy-11a-methyl-1H,2H,3H,3aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one
| Molecular Formula | C18H18O3 |
|---|---|
| Molecular Weight | 282.12558 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 282.12558 |
| Monoisotopic Mass | 282.12558 |
| Heavy Atoms | 21 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 86273-79-2 |
|---|---|
| SMILES | C[C@]12CCC3=C([C@@H]1CCC2=O)C=CC4=C3C=CC(=C4O)O |
| InChIKey | MRSWRSDZIPNFCN-KSSFIOAISA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hydroxyequilenin (CAS 86273-79-2), with molecular formula C18H18O3 and molecular weight 282.12558 g/mol. IUPAC: (13S,14S)-3,4-dihydroxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one.