| SpectraBase Compound ID | 1TROYRGCMqB |
|---|---|
| InChI | InChI=1S/C22H27BrO4/c1-4-26-19-11-22(3)17(10-18(23)21(22)25)16-7-5-13-9-14(27-12(2)24)6-8-15(13)20(16)19/h6,8-9,16-20H,4-5,7,10-11H2,1-3H3/t16-,17-,18+,19-,20+,22-/m0/s1 |
| InChIKey | DONHGXXXZCVLFI-AQXOQHEOSA-N |
| Mol Weight | 435.36 g/mol |
| Molecular Formula | C22H27BrO4 |
| Exact Mass | 434.109272 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HiBYHfn9JtQ |
|---|---|
| Name | 16.alpha.-Bromo-3-acetoxy-11.beta.-ethoxyestra-1,3,5(10)-triene-17-one |
| Alternate Name(s) | (11beta,16alpha)-16-bromo-11-ethoxy-17-oxoestra-1,3,5(10)-trien-3-yl acetate Acetic acid[(8S,9S,11S,13S,14S,16R)-16-bromo-11-ethoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]ester Acetic acid[(8S,9S,11S,13S,14S,16R)-16-bromo-11-ethoxy-17-keto-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]ester [(8S,9S,11S,13S,14S,16R)-16-bromanyl-11-ethoxy-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]ethanoate [(8S,9S,11S,13S,14S,16R)-16-bromo-11-ethoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]acetate Acetic acid [(8S,9S,11S,13S,14S,16R)-16-bromo-11-ethoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester [(8S,9S,11S,13S,14S,16R)-16-bromo-11-ethoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate [(8S,9S,11S,13S,14S,16R)-16-bromanyl-11-ethoxy-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 | C22H27BrO4 |
| InChI | InChI=1S/C22H27BrO4/c1-4-26-19-11-22(3)17(10-18(23)21(22)25)16-7-5-13-9-14(27-12(2)24)6-8-15(13)20(16)19/h6,8-9,16-20H,4-5,7,10-11H2,1-3H3/t16-,17-,18+,19-,20+,22-/m0/s1 |
| InChIKey | DONHGXXXZCVLFI-AQXOQHEOSA-N |
| Molecular Weight | 435.358 g/mol |
| SMILES | c1(ccc2c(c1)CC[C@]1([C@@]3(C[C@](C([C@@]3(C)C[C@@]([C@]21[H])(OCC)[H])=O)(Br)[H])[H])[H])OC(=O)C |
| SPLASH | splash10-05mk-0903000000-a08d861af3ccab60e549 |
| Source of Spectrum | E1-36-268-3 |
| Wiley ID | 1574630 |