17-Bromo-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate
[2-[(8S,10S,11S,13S,14S,16R,17R)-17-bromo-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: EINECS 262-715-6|17-Bromo-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate|(9xi)-17-Bromo-9-fluoro-11beta-hydroxy-16alpha-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate|[2-[(8S,10S,11S,13S,14S,16R,17R)-17-bromo-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
| Molecular Formula | C24H30BrFO5 |
|---|---|
| Molecular Weight | 496.12607 g/mol |
| LogP | 3.8691 |
| Topological Polar Surface Area | 80.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 496.12607 |
| Monoisotopic Mass | 496.12607 |
| Heavy Atoms | 31 |
| Complexity | 913.64575 |
Chemical Identifiers
| CAS Number | 61339-35-3 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)Br)C)O)F)C |
Product Overview
17-Bromo-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate (CAS 61339-35-3), with molecular formula C24H30BrFO5 and molecular weight 496.12607 g/mol. IUPAC: [2-[(8S,10S,11S,13S,14S,16R,17R)-17-bromo-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.