17beta-[(Cyclooct-1-en-1-yl)oxy]estra-1(10),2,4-trien-3-yl benzoate
[(8R,9S,13S,14S,17S)-17-(cycloocten-1-yloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate
Also Known As: 17-(1-Cycloocten-1-yloxy)-(17beta)-estra-1,3,5(10)-trien-3-ol benzoate|17beta-[(Cyclooct-1-en-1-yl)oxy]estra-1(10),2,4-trien-3-yl benzoate
| Molecular Formula | C33H40O3 |
|---|---|
| Molecular Weight | 484.29776 g/mol |
| LogP | 8.39 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 484.29776 |
| Heavy Atoms | 36 |
| Complexity | 1119.0 |
Chemical Identifiers
| CAS Number | 28200-94-4 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC4=CCCCCCC4)CCC5=C3C=CC(=C5)OC(=O)C6=CC=CC=C6 |
Product Overview
17beta-[(Cyclooct-1-en-1-yl)oxy]estra-1(10),2,4-trien-3-yl benzoate (CAS 28200-94-4), with molecular formula C33H40O3 and molecular weight 484.29776 g/mol. IUPAC: [(8R,9S,13S,14S,17S)-17-(cycloocten-1-yloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate.
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