| SpectraBase Compound ID | AEDw0xf58dd |
|---|---|
| InChI | InChI=1S/C23H30O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,7-8,17-18,21H,6,9-13H2,1-4H3/t17-,18-,21-,22-,23+/m0/s1 |
| InChIKey | QLMXZKMIBONXSF-KCRBMJMASA-N |
| Mol Weight | 354.49 g/mol |
| Molecular Formula | C23H30O3 |
| Exact Mass | 354.219495 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3Z7q4Z9Lj5p |
|---|---|
| Name | 3.beta.-Acetoxypregna-5,14,16-trien-20-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H30O3 |
| InChI | InChI=1S/C23H30O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,7-8,17-18,21H,6,9-13H2,1-4H3/t17-,18-,21-,22-,23+/m0/s1 |
| InChIKey | QLMXZKMIBONXSF-KCRBMJMASA-N |
| Molecular Weight | 354.490 g/mol |
| SMILES | [C@@]12(C([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])=CC=C1C(=O)C)C |
| SPLASH | splash10-001i-9000000000-7ce0608458e3a5bf28bd |
| Source of Spectrum | OP-24-161-2 |
| Synonyms | (3beta)-20-oxopregna-5,14,16-trien-3-yl acetate Acetic acid[(3S,8R,9S,10R,13S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12-octahydro-1H-cyclopenta[a]phenanthren-3-yl]ester [(3S,8R,9S,10R,13S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12-octahydro-1H-cyclopenta[a]phenanthren-3-yl]acetate [(3S,8R,9S,10R,13S)-17-ethanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12-octahydro-1H-cyclopenta[a]phenanthren-3-yl]ethanoate [(3S,8R,9S,10R,13S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12-octahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,8R,9S,10R,13S)-17-ethanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12-octahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 850414 |