| SpectraBase Compound ID | DxpyIzvQGUv |
|---|---|
| InChI | InChI=1S/C21H26O4/c1-12(22)25-19-16-5-4-13-14-6-7-18(24)21(14,3)10-8-15(13)20(16,2)11-9-17(19)23/h4-5,13-15H,6-11H2,1-3H3/t13-,14-,15-,20+,21-/m0/s1 |
| InChIKey | KZSDAOLDPDWQDM-VMRCMBGLSA-N |
| Mol Weight | 342.44 g/mol |
| Molecular Formula | C21H26O4 |
| Exact Mass | 342.183109 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | L27qUzqUBm |
|---|---|
| Name | 4-Acetoxyandrosta-4,6-diene-3,17-dione |
| CAS Registry Number | 89593-30-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H26O4 |
| InChI | InChI=1S/C21H26O4/c1-12(22)25-19-16-5-4-13-14-6-7-18(24)21(14,3)10-8-15(13)20(16,2)11-9-17(19)23/h4-5,13-15H,6-11H2,1-3H3/t13-,14-,15-,20+,21-/m0/s1 |
| InChIKey | KZSDAOLDPDWQDM-VMRCMBGLSA-N |
| Molecular Weight | 342.435 g/mol |
| SMILES | C=12[C@@]([C@]3(CC[C@]4([C@]([C@@]3(C=C2)[H])(CCC4=O)[H])C)[H])(CCC(C1OC(=O)C)=O)C |
| SPLASH | splash10-0udi-1907000000-dce0ce79b9b8fa78ec61 |
| Source of Spectrum | W5-1989-35262-30274 |
| Synonyms | 3,17-dioxoandrosta-4,6-dien-4-yl acetate Acetic acid [(8R,9S,10R,13S,14S)-10,13-dimethyl-3,17-dioxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-4-yl] ester [(8R,9S,10R,13S,14S)-10,13-dimethyl-3,17-dioxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate [(8R,9S,10R,13S,14S)-10,13-dimethyl-3,17-bis(oxidanylidene)-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-4-yl] ethanoate |
| Wiley ID | 1336792 |