| SpectraBase Compound ID | 4uS87THcmOl |
|---|---|
| InChI | InChI=1S/C29H48O3/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(31)26-16-21(32-20(4)30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-19,21-25,27,31H,7-15,17H2,1-6H3/t19-,21?,22+,23-,24+,25+,27?,28-,29-/m1/s1 |
| InChIKey | LMHDVSKJERKBHQ-UHQZOCOASA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C29H48O3 |
| Exact Mass | 444.360345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | F87qGSdcbJU |
|---|---|
| Name | Cholest-4-en-6-ol-3-acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48O3 |
| InChI | InChI=1S/C29H48O3/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(31)26-16-21(32-20(4)30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-19,21-25,27,31H,7-15,17H2,1-6H3/t19-,21?,22+,23-,24+,25+,27?,28-,29-/m1/s1 |
| InChIKey | LMHDVSKJERKBHQ-UHQZOCOASA-N |
| Instrument Name | Varian 3400-Varian Saturn |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002_1097-0231(20000730)14_14_1275 |
| Molecular Weight | 444.700 g/mol |
| SMILES | OC1C[C@@]2([C@@]([C@]3(CCC(C=C13)OC(C)=O)C)(CC[C@]1([C@]2(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])[H] |
| SPLASH | splash10-001i-6319000000-cd6507d804617fd43a7f |
| Source of Spectrum | RCM-14-1278-Fig. 8 |
| Wiley ID | 1839098 |