| SpectraBase Compound ID | Hq9WV6bA6mR |
|---|---|
| InChI | InChI=1S/C27H44/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h6,11-12,19-20,22-25H,7-10,13-18H2,1-5H3/t20?,22-,23+,24-,25?,26-,27+/m0/s1 |
| InChIKey | RLHIRZFWJBOHHD-VTGNKZIQSA-N |
| Mol Weight | 368.6 g/mol |
| Molecular Formula | C27H44 |
| Exact Mass | 368.344301 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 21FUCrL77A |
|---|---|
| Name | Cholesterol-M/A (-H2O) |
| Classification | Drug metabolite, artifact |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 368.344301417 u |
| Formula | C27H44 |
| InChI | InChI=1S/C27H44/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h6,11-12,19-20,22-25H,7-10,13-18H2,1-5H3/t20?,22-,23+,24-,25?,26-,27+/m0/s1 |
| InChIKey | RLHIRZFWJBOHHD-VTGNKZIQSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 368.649 g/mol |
| Nominal Mass | 368 u |
| Quality | 996 |
| Retention Index | 2855 |
| SMILES | [C@@]12([C@]3([C@@]([C@](CC3)(C(CCCC(C)C)C)[H])(CCC1[C@@]1(C(=CC2)C=CCC1)C)C)[H])[H] |
| SPLASH | splash10-05mp-7922000000-8fdc30ba5158751474e5 |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | Cholesta-3,5-diene |
| Technique | GC/MS |
| Wiley ID | DD2024_033412 |