| SpectraBase Compound ID | 93xkrGrxHd4 |
|---|---|
| InChI | InChI=1S/C21H28O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h10,15-17,19H,4-9,11H2,1-3H3/t15-,16+,17+,19+,20+,21+/m1/s1 |
| InChIKey | GCVXWIQSHQJQAX-OBQKJFGGSA-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 | 8E4reYMm5Ox |
|---|---|
| Name | 4-Pregnen-3,16,20-trione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H28O3 |
| InChI | InChI=1S/C21H28O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h10,15-17,19H,4-9,11H2,1-3H3/t15-,16+,17+,19+,20+,21+/m1/s1 |
| InChIKey | GCVXWIQSHQJQAX-OBQKJFGGSA-N |
| Molecular Weight | 328.452 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)[H])(CC([C@@]1(C(=O)C)[H])=O)[H])C |
| SPLASH | splash10-0imu-0329000000-d5e9ea2e752d787077fc |
| Source of Spectrum | G-56-989-0 |
| Synonyms | (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,6,7,8,9,11,12,14,15,17-decahydro-1H-cyclopenta[a]phenanthrene-3,16-dione (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,6,7,8,9,11,12,14,15,17-decahydro-1H-cyclopenta[a]phenanthrene-3,16-quinone (8S,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-2,6,7,8,9,11,12,14,15,17-decahydro-1H-cyclopenta[a]phenanthrene-3,16-dione Pregn-4-ene-3,16,20-trione |
| Wiley ID | 748353 |