Phenol,2-bromo-6-ethenyl
[2-[(6R,8S,10S,11S,13S,14S)-17-acetyloxy-2-bromo-9,11-dichloro-6-fluoro-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: Phenol,2-bromo-6-ethenyl|KST-1A6332|EINECS 260-954-0|(6|A,9xi,11|A,17xi)-2-bromo-9,11-dichloro-6-fluoro-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate|2-Bromo-9,11-dichloro-6-fluoro-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate|(9xi,17xi)-2-Bromo-9,11-dichloro-6-fluoro-3,20-dioxo-6beta,11beta-pregna-1,4-diene-17,21-diyl diacetate|[2-[(6R,8S,10S,11S,13S,14S)-17-acetyloxy-2-bromo-9,11-dichloro-6-fluoro-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate|Acetic acid (6R,8S,9R,10S,11S,13S,14S,17R)-17-(2-acetoxy-acetyl)-2-bromo-9,11-dichloro-6-fluoro-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl ester
| Molecular Formula | C25H28BrCl2FO6 |
|---|---|
| Molecular Weight | 592.043 g/mol |
| LogP | 4.98 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 592.043 |
| Heavy Atoms | 35 |
| Complexity | 1076.2 |
Chemical Identifiers
| CAS Number | 57781-16-5 |
|---|---|
| SMILES | CC(=O)OCC(=O)C1(CC[C@@H]2[C@@]1(C[C@@H](C3([C@H]2C[C@H](C4=CC(=O)C(=C[C@@]43C)Br)F)Cl)Cl)C)OC(=O)C |
Product Overview
Phenol,2-bromo-6-ethenyl (CAS 57781-16-5), with molecular formula C25H28BrCl2FO6 and molecular weight 592.043 g/mol. IUPAC: [2-[(6R,8S,10S,11S,13S,14S)-17-acetyloxy-2-bromo-9,11-dichloro-6-fluoro-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
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