1-Methyl-6-dehydroestrone
(8R,9S,13S,14S)-3-hydroxy-1,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-one
Also Known As: 1-Methyl-6-dehydroestrone|delta6,7-1-Methylestrone|.DELTA.6,7-1-METHYLESTRONE|3-Hydroxy-1-methylestra-1,3,5(10),6-tetraen-17-one|Estra-1,3,5(10),6-tetraen-17-one, 3-hydroxy-1-methyl-|3-Hydroxy-1-methylestra-1,3,5 ,6-tetren-17-one|3-Hydroxy-1-methylestra-1(10),2,4,6-tetraen-17-one|3-Hydroxy-1-methylestra-1,3,5(10),6-tetren-17-one|3-Hydroxy-1-methylestra-1,3,5(10),6-tetraen-17-one #|Estra-1,5(10),6-tetraen-17-one, 3-hydroxy-1-methyl-|(8R,9S,13S,14S)-3-hydroxy-1,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-one|(3aS,3bR,9bS,11aS)-7-hydroxy-9,11a-dimethyl-1H,2H,3H,3aH,3bH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one
| Molecular Formula | C19H22O2 |
|---|---|
| Molecular Weight | 282.162 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 282.162 |
| Monoisotopic Mass | 282.162 |
| Heavy Atoms | 21 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 6967-06-2 |
|---|---|
| SMILES | CC1=CC(=CC2=C1[C@H]3CC[C@]4([C@H]([C@@H]3C=C2)CCC4=O)C)O |
| InChIKey | KRCRSBUGDLOMGX-DRMAHVMPSA-N |
Product Overview
1-Methyl-6-dehydroestrone (CAS 6967-06-2), with molecular formula C19H22O2 and molecular weight 282.162 g/mol. IUPAC: (8R,9S,13S,14S)-3-hydroxy-1,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-one.