Estradiol Impurity 16
13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: Estradiol Impurity 16|delta9,11-Estradiol|Delta-9-17-alfa-Estradiol|Oprea1_210698|Estra-1,3,5(10),9(11)-tetraene-3,17beta-diol|(17|A)-Estra-1,3,5(10),9(11)-tetraene-3,17-diol|N0001-011958|13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol|13-methyl-7,8,12,13,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol|(8S,13S,14S,17R)-13-methyl-7,8,12,13,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
| Molecular Formula | C18H22O2 |
|---|---|
| Molecular Weight | 270.162 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 270.162 |
| Monoisotopic Mass | 270.162 |
| Heavy Atoms | 20 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 791-69-5 |
|---|---|
| SMILES | CC12CC=C3C(C1CCC2O)CCC4=C3C=CC(=C4)O |
| InChIKey | FABGTKBXHAEVKL-UHFFFAOYSA-N |
Product Overview
Estradiol Impurity 16 (CAS 791-69-5), with molecular formula C18H22O2 and molecular weight 270.162 g/mol. IUPAC: 13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol.
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