| SpectraBase Compound ID | 6BygBjgFhwV |
|---|---|
| InChI | InChI=1S/C20H22BrFO3/c1-10(23)25-17-6-5-11-12-7-8-20(2)15(9-16(21)19(20)24)13(12)3-4-14(11)18(17)22/h5-6,12-13,15-16H,3-4,7-9H2,1-2H3/t12-,13-,15+,16-,20+/m1/s1 |
| InChIKey | FTBNXLHEMJHXMN-HGSHMYCCSA-N |
| Mol Weight | 409.3 g/mol |
| Molecular Formula | C20H22BrFO3 |
| Exact Mass | 408.073636 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 52LnboudrLb |
|---|---|
| Name | 4-Fluoro-16.alpha.-bromo-3-acetoxyestra-1,3,5(10)-trien-17-one |
| Alternate Name(s) | (16alpha)-16-bromo-4-fluoro-17-oxoestra-1,3,5(10)-trien-3-yl acetate Acetic acid[(8R,9S,13S,14S,16R)-16-bromo-4-fluoro-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]ester Acetic acid[(8R,9S,13S,14S,16R)-16-bromo-4-fluoro-17-keto-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]ester [(8R,9S,13S,14S,16R)-16-bromanyl-4-fluoranyl-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]ethanoate [(8R,9S,13S,14S,16R)-16-bromo-4-fluoro-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]acetate Acetic acid [(8R,9S,13S,14S,16R)-16-bromo-4-fluoro-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester [(8R,9S,13S,14S,16R)-16-bromo-4-fluoro-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate [(8R,9S,13S,14S,16R)-16-bromanyl-4-fluoranyl-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ethanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H22BrFO3 |
| InChI | InChI=1S/C20H22BrFO3/c1-10(23)25-17-6-5-11-12-7-8-20(2)15(9-16(21)19(20)24)13(12)3-4-14(11)18(17)22/h5-6,12-13,15-16H,3-4,7-9H2,1-2H3/t12-,13-,15+,16-,20+/m1/s1 |
| InChIKey | FTBNXLHEMJHXMN-HGSHMYCCSA-N |
| Molecular Weight | 409.295 g/mol |
| SMILES | c1(ccc2c(c1F)CC[C@]1([C@@]3(C[C@](C([C@@]3(C)CC[C@]21[H])=O)(Br)[H])[H])[H])OC(=O)C |
| SPLASH | splash10-0159-0069000000-e2772d809f48318b8acc |
| Source of Spectrum | E1-36-4260-4 |
| Wiley ID | 1574891 |