AC1O58UA
(6R,8S,10S,11S,13S,14S,16R,17R)-17-bromo-6,9-difluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Also Known As: EINECS 262-717-7|17-Bromo-6beta,9-difluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione|(6R,8S,10S,11S,13S,14S,16R,17R)-17-bromo-6,9-difluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one|17-Bromo-6,9-difluoro-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione|(9xi)-17-Bromo-6beta,9-difluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione
| Molecular Formula | C22H27BrF2O4 |
|---|---|
| Molecular Weight | 472.10608 g/mol |
| LogP | 3.2463 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 472.10608 |
| Monoisotopic Mass | 472.10608 |
| Heavy Atoms | 29 |
| Complexity | 842.6689 |
Chemical Identifiers
| CAS Number | 61339-37-5 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3C[C@H](C4=CC(=O)C=C[C@@]4(C3([C@H](C[C@@]2([C@]1(C(=O)CO)Br)C)O)F)C)F |
Product Overview
AC1O58UA (CAS 61339-37-5), with molecular formula C22H27BrF2O4 and molecular weight 472.10608 g/mol. IUPAC: (6R,8S,10S,11S,13S,14S,16R,17R)-17-bromo-6,9-difluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one.
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