| SpectraBase Compound ID | GKIbI6qFdEM |
|---|---|
| InChI | InChI=1S/C21H26O5/c1-11(22)26-18-10-21(3)14-6-7-20(2)13(4-5-19(20)25)12(14)8-16(23)15(21)9-17(18)24/h9,12-14,18H,4-8,10H2,1-3H3/t12-,13-,14-,18+,20-,21+/m0/s1 |
| InChIKey | HRSRBOLMCGQMOR-HAHRUTEYSA-N |
| Mol Weight | 358.43 g/mol |
| Molecular Formula | C21H26O5 |
| Exact Mass | 358.178024 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IhlQjzjkmhp |
|---|---|
| Name | 2.alpha.-Acetoxyandrost-4-ene-3,6,17-trione |
| Alternate Name(s) | (2alpha)-3,6,17-trioxoandrost-4-en-2-yl acetate Acetic acid[(2R,8R,9S,10R,13S,14S)-10,13-dimethyl-3,6,17-trioxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-2-yl]ester Acetic acid[(2R,8R,9S,10R,13S,14S)-3,6,17-triketo-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-2-yl]ester [(2R,8R,9S,10R,13S,14S)-10,13-dimethyl-3,6,17-trioxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-2-yl]acetate [(2R,8R,9S,10R,13S,14S)-10,13-dimethyl-3,6,17-tris(oxidanylidene)-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-2-yl]ethanoate Acetic acid [(2R,8R,9S,10R,13S,14S)-10,13-dimethyl-3,6,17-trioxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-2-yl] ester [(2R,8R,9S,10R,13S,14S)-10,13-dimethyl-3,6,17-trioxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-2-yl] acetate [(2R,8R,9S,10R,13S,14S)-10,13-dimethyl-3,6,17-tris(oxidanylidene)-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-2-yl] ethanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H26O5 |
| InChI | InChI=1S/C21H26O5/c1-11(22)26-18-10-21(3)14-6-7-20(2)13(4-5-19(20)25)12(14)8-16(23)15(21)9-17(18)24/h9,12-14,18H,4-8,10H2,1-3H3/t12-,13-,14-,18+,20-,21+/m0/s1 |
| InChIKey | HRSRBOLMCGQMOR-HAHRUTEYSA-N |
| Molecular Weight | 358.434 g/mol |
| SMILES | C1([C@@](C[C@]2(C(=C1)C(C[C@]1([C@@]3(CCC([C@@]3(C)CC[C@]21[H])=O)[H])[H])=O)C)(OC(=O)C)[H])=O |
| SPLASH | splash10-0002-0095000000-0f1e5652314d48a4f57d |
| Source of Spectrum | KC-0-2977-6 |
| Wiley ID | 780212 |