| SpectraBase Compound ID | H0KXhFLSDps |
|---|---|
| InChI | InChI=1S/C22H28O4/c1-4-25-19-12-22(3)18(9-10-20(22)24)17-7-5-14-11-15(26-13(2)23)6-8-16(14)21(17)19/h6,8,11,17-19,21H,4-5,7,9-10,12H2,1-3H3/t17-,18-,19-,21+,22-/m0/s1 |
| InChIKey | JMLBDTXWGONLIO-WODKUCBQSA-N |
| Mol Weight | 356.46 g/mol |
| Molecular Formula | C22H28O4 |
| Exact Mass | 356.198759 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 45V0uzOdXlt |
|---|---|
| Name | 11.beta.-Ethoxyestrone acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H28O4 |
| InChI | InChI=1S/C22H28O4/c1-4-25-19-12-22(3)18(9-10-20(22)24)17-7-5-14-11-15(26-13(2)23)6-8-16(14)21(17)19/h6,8,11,17-19,21H,4-5,7,9-10,12H2,1-3H3/t17-,18-,19-,21+,22-/m0/s1 |
| InChIKey | JMLBDTXWGONLIO-WODKUCBQSA-N |
| Molecular Weight | 356.462 g/mol |
| SMILES | c1(ccc2c(c1)CC[C@]1([C@@]3(CCC(=O)[C@@]3(C)C[C@@]([C@]21[H])(OCC)[H])[H])[H])OC(C)=O |
| SPLASH | splash10-0002-0952000000-9778944dc7adf8d76b8d |
| Source of Spectrum | E1-36-268-0 |
| Synonyms | (11beta)-11-ethoxy-17-oxoestra-1,3,5(10)-trien-3-yl acetate Acetic acid[(8S,9S,11S,13S,14S)-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)-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)-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)-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)-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)-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)-11-ethoxy-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 1574632 |