| SpectraBase Compound ID | EvjUAKtSNE4 |
|---|---|
| InChI | InChI=1S/C27H42O/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(25)28/h6,11,17-19,21-23,25H,7-10,12-16H2,1-5H3 |
| InChIKey | TTXJJFWWNDJDNR-UHFFFAOYSA-N |
| Mol Weight | 382.6 g/mol |
| Molecular Formula | C27H42O |
| Exact Mass | 382.323566 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Dnszo6gghuq |
|---|---|
| Name | Cholesta-3,5-dien-7-one |
| CAS Registry Number | 567-72-6 |
| Classification | Cholesterol metabolite |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 382.323565971 u |
| Formula | C27H42O |
| InChI | InChI=1S/C27H42O/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(25)28/h6,11,17-19,21-23,25H,7-10,12-16H2,1-5H3 |
| InChIKey | TTXJJFWWNDJDNR-UHFFFAOYSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 382.632 g/mol |
| Nominal Mass | 382 u |
| Quality | 931 |
| Retention Index | 2876 |
| SMILES | C12(C(C3C(C4(C(=CC3=O)C=CCC4)C)CC2)CCC1C(CCCC(C)C)C)C |
| SPLASH | splash10-00di-2911000000-b54a12d2473b3e126954 |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | 3,5-Cholestadien-7-one |
| Technique | GC/MS |
| Wiley ID | DD2024_000699 |