| SpectraBase Compound ID | 1ntLmXWcMj1 |
|---|---|
| InChI | InChI=1S/C21H28O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)18(15)11-19(24)21(16,17)3/h10,15-18H,4-9,11H2,1-3H3/t15-,16+,17-,18-,20-,21+/m0/s1 |
| InChIKey | BDFMJYFTJSHIQO-XRFJLBFOSA-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 | yOvRknUfrQ |
|---|---|
| Name | Pregn-4-ene-3,12,20-trione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H28O3 |
| InChI | InChI=1S/C21H28O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)18(15)11-19(24)21(16,17)3/h10,15-18H,4-9,11H2,1-3H3/t15-,16+,17-,18-,20-,21+/m0/s1 |
| InChIKey | BDFMJYFTJSHIQO-XRFJLBFOSA-N |
| Molecular Weight | 328.452 g/mol |
| SMILES | C1(CC[C@]2(C(=C1)CC[C@]1([C@@]3(CC[C@](C(C)=O)([C@@]3(C)C(C[C@]21[H])=O)[H])[H])[H])C)=O |
| SPLASH | splash10-00b9-0349000000-d9fac9dc27b857af9565 |
| Source of Spectrum | G-56-989-0 |
| Synonyms | (8R,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,6,7,8,9,11,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,12-dione (8R,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-2,6,7,8,9,11,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,12-dione |
| Wiley ID | 748352 |