| SpectraBase Compound ID | IExnWvG4V9v |
|---|---|
| InChI | InChI=1S/C21H28O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h8,10,12,16-19H,4-7,9,11H2,1-3H3/t16-,17-,18-,19-,20-,21-/m0/s1 |
| InChIKey | KPCDGGNHYODURF-PXQJOHHUSA-N |
| Mol Weight | 328.45 g/mol |
| Molecular Formula | C21H28O3 |
| Exact Mass | 328.203845 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BKJU38lsvQ2 |
|---|---|
| Name | 3-Oxo-17-.beta.-acetyloxy-10.beta.-methylestra-1,4-diene |
| Alternate Name(s) | (17beta)-3-oxoandrosta-1,4-dien-17-yl acetate Acetic acid[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]ester Acetic acid[(8R,9S,10R,13S,14S,17S)-3-keto-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]ester [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanylidene-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]ethanoate [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]acetate Acetic acid [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanylidene-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H28O3 |
| InChI | InChI=1S/C21H28O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h8,10,12,16-19H,4-7,9,11H2,1-3H3/t16-,17-,18-,19-,20-,21-/m0/s1 |
| InChIKey | KPCDGGNHYODURF-PXQJOHHUSA-N |
| Molecular Weight | 328.452 g/mol |
| SMILES | [C@@]12(C(=CC(C=C2)=O)CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)(OC(=O)C)[H])[H])[H])C |
| SPLASH | splash10-00di-1900000000-55b4bec7833ccc377b73 |
| Source of Spectrum | O-29-37-0 |
| Wiley ID | 1326699 |