| SpectraBase Compound ID | 2uOTA2SvY8D |
|---|---|
| InChI | InChI=1S/C21H32O2/c1-13(22)16-9-10-17-15-8-7-14-6-4-5-11-20(14,2)18(15)12-19(23)21(16,17)3/h14-18H,4-12H2,1-3H3 |
| InChIKey | DNVALXCDISGLGT-UHFFFAOYSA-N |
| Mol Weight | 316.5 g/mol |
| Molecular Formula | C21H32O2 |
| Exact Mass | 316.24023 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5AU8JLmPyNe |
|---|---|
| Name | 5.alpha.-Pregnane-12,20-dione |
| Alternate Name(s) | Pregnane-12,20-dione 17-acetyl-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-12-one 17-ethanoyl-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-12-one |
| CAS Registry Number | 6022-48-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H32O2 |
| InChI | InChI=1S/C21H32O2/c1-13(22)16-9-10-17-15-8-7-14-6-4-5-11-20(14,2)18(15)12-19(23)21(16,17)3/h14-18H,4-12H2,1-3H3 |
| InChIKey | DNVALXCDISGLGT-UHFFFAOYSA-N |
| Molecular Weight | 316.485 g/mol |
| SMILES | CC12C(C3C(CC2=O)C2(C)C(CC3)CCCC2)CCC1C(C)=O |
| SPLASH | splash10-052f-9511000000-bb3f4b1608849d495914 |
| Source of Spectrum | SD-1981-0-0 |
| Wiley ID | 1317208 |