| SpectraBase Compound ID | 7iivZghJZGz |
|---|---|
| InChI | InChI=1S/C21H28O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h7,14-16,18H,4-6,8-11H2,1-3H3 |
| InChIKey | ZYHZGAFPTKKMDM-UHFFFAOYSA-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 | 986PRMi8t31 |
|---|---|
| Name | Pregn-9(11)-ene-3,6,20-trione, (5.alpha.)- |
| CAS Registry Number | 37717-04-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H28O3 |
| InChI | InChI=1S/C21H28O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h7,14-16,18H,4-6,8-11H2,1-3H3 |
| InChIKey | ZYHZGAFPTKKMDM-UHFFFAOYSA-N |
| Molecular Weight | 328.452 g/mol |
| SMILES | C12CC(CCC2(C2=CCC3(C(C2CC1=O)CCC3C(C)=O)C)C)=O |
| SPLASH | splash10-002f-9443000000-6a2819a4c31a3ab311e8 |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | Pregn-9(11)-ene-3,6,20-trione, (5.alpha.,17.alpha.)- Pregn-9(11)-ene-3,6,20-trione 17-acetyl-10,13-dimethyl-2,4,5,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione 17-acetyl-10,13-dimethyl-2,4,5,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-quinone 17-ethanoyl-10,13-dimethyl-2,4,5,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione |
| Wiley ID | 1326658 |