C25H28BrFO7
[2-[(1S,2S,8R,10S,11S,15S,17S)-14-acetyloxy-4-bromo-8-fluoro-2,15-dimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoethyl] acetate
Also Known As: EINECS 260-970-8|KST-1A6346|F0709-0325|2-Bromo-9beta,11beta-epoxy-6beta-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate)|(6|A,9|A,11|A,17xi)-2-bromo-6-fluoro-3,20-dioxo-9,11-epoxypregna-1,4-diene-17,21-diyl diacetate|2-Bromo-6-fluoro-3,20-dioxo-9,11-epoxypregna-1,4-diene-17,21-diyl diacetate|(17xi)-2-Bromo-6-fluoro-3,20-dioxo-6beta,9beta,11beta-9,11-epoxypregna-1,4-diene-17,21-diyl diacetate|2-bromo-9|A,11|A-epoxy-6|A-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate)
| Molecular Formula | C25H28BrFO7 |
|---|---|
| Molecular Weight | 538.1002 g/mol |
| LogP | 3.53 |
| Topological Polar Surface Area | 99.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 538.1002 |
| Heavy Atoms | 34 |
| Complexity | 1083.1 |
Chemical Identifiers
| CAS Number | 57808-79-4 |
|---|---|
| SMILES | CC(=O)OCC(=O)C1(CC[C@@H]2[C@@]1(C[C@H]3[C@@]4([C@H]2C[C@H](C5=CC(=O)C(=C[C@@]54C)Br)F)O3)C)OC(=O)C |
Product Overview
C25H28BrFO7 (CAS 57808-79-4), with molecular formula C25H28BrFO7 and molecular weight 538.1002 g/mol. IUPAC: [2-[(1S,2S,8R,10S,11S,15S,17S)-14-acetyloxy-4-bromo-8-fluoro-2,15-dimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoethyl] acetate.
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