Ro 6-1963
(8S,9R,10S,13S,14S,17S)-17-acetyl-6-methoxy-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Also Known As: Ro 6-1963|6-methoxypregna-4,6-diene-3,20-dione|6|A-methoxy-9|A,10|A-pregna-4,6-dien-3,20-dione|(8S,9R,10S,13S,14S,17S)-17-acetyl-6-methoxy-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one|6-Methoxy-9beta,10alpha-pregna-4,6-diene-3,20-dione|6beta-Methoxy-9beta,10alpha-pregna-4,6-dien-3,20-dione
| Molecular Formula | C22H30O3 |
|---|---|
| Molecular Weight | 342.21948 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.21948 |
| Monoisotopic Mass | 342.21948 |
| Heavy Atoms | 25 |
| Complexity | 687.0 |
Chemical Identifiers
| CAS Number | 7145-06-4 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@H]2C=C(C4=CC(=O)CC[C@@]34C)OC)C |
| InChIKey | CIWNJMYTEHAMBY-SJGKADBUSA-N |
Product Overview
Ro 6-1963 (CAS 7145-06-4), with molecular formula C22H30O3 and molecular weight 342.21948 g/mol. IUPAC: (8S,9R,10S,13S,14S,17S)-17-acetyl-6-methoxy-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one.
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