8-Isoestrone
(8S,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Also Known As: Isoestrone|8alpha-Estrone|8-Epiestrone|8-Isoestrone|DL-8-Isoestrone|estrone|8-Isoestrone [MI]|(+/-)-8-Isoestrone|8-Isoestrone, (+/-)-|8-Isoestrone DL-form [MI]|8.ALPHA.-ESTRONE|1,3,5-8alpha-Epiestratrien-17-one-3-ol|delta-1,3,5-8-epiestratrien-3-ol-17-one|3-hydroxy-8a-estra-1,3,5(10)-trien-17-one|8alpha-3beta-hydroxy-estra-1,3,5(10)-trien-17-one|Estra-1,3,5(10)-trien-17-one, 3-hydroxy-, (8alpha)-|(8-alpha)-3-Hydroxyestra-1,3,5(10)-trien-17-one|(8alpha)-3-Hydroxyestra-1,3,5(10)-trien-17-one|1,3,5-8.ALPHA.-EPIESTRATRIEN-17-ONE-3-OL|3-hydroxy-8alpha-estra-1,3,5(10)-trien -17-one|Estra-1,3,5(10)-trien-17-one, 3-hydroxy-, (8alpha)-(+/-)-|ESTRA-1,3,5(10)-TRIEN-17-ONE, 3-HYDROXY-, (8.ALPHA.)-|ESTRA-1,3,5(10)-TRIEN-17-ONE, 3-HYDROXY-, (8.ALPHA.)-(+/-)-|(3aS,3bS,9bS,11aS)-7-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one
| Molecular Formula | C18H22O2 |
|---|---|
| Molecular Weight | 270.162 g/mol |
| LogP | 3.8174 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 270.162 |
| Monoisotopic Mass | 270.162 |
| Heavy Atoms | 20 |
| Complexity | 576.781 |
Chemical Identifiers
| CAS Number | 4680-83-5 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O |
Product Overview
8-Isoestrone (CAS 4680-83-5), with molecular formula C18H22O2 and molecular weight 270.162 g/mol. IUPAC: (8S,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one.