| SpectraBase Compound ID | 91mdZRmXo1p |
|---|---|
| InChI | InChI=1S/C21H30O2/c1-4-13-5-6-16-15-12-19(23)18-11-14(22)7-9-21(18,3)17(15)8-10-20(13,16)2/h11,13,15-17H,4-10,12H2,1-3H3 |
| InChIKey | YIRKIPHQKVTVKT-UHFFFAOYSA-N |
| Mol Weight | 314.47 g/mol |
| Molecular Formula | C21H30O2 |
| Exact Mass | 314.22458 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4T5108OWKe |
|---|---|
| Name | Pregn-4-ene-3,6-dione |
| CAS Registry Number | 3510-11-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30O2 |
| InChI | InChI=1S/C21H30O2/c1-4-13-5-6-16-15-12-19(23)18-11-14(22)7-9-21(18,3)17(15)8-10-20(13,16)2/h11,13,15-17H,4-10,12H2,1-3H3 |
| InChIKey | YIRKIPHQKVTVKT-UHFFFAOYSA-N |
| Molecular Weight | 314.469 g/mol |
| SMILES | CC12C3C(C4C(CC3)(C)C(CC)CC4)CC(C2=CC(CC1)=O)=O |
| SPLASH | splash10-06rl-7920000000-b4e71ad150c74e93dbe3 |
| Source of Spectrum | W5-1989-48207-17329 |
| Synonyms | 17-ethyl-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione 17-ethyl-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-quinone |
| Wiley ID | 1315525 |