| SpectraBase Compound ID | 8ynqjD68W31 |
|---|---|
| InChI | InChI=1S/C27H48O2/c1-18(2)8-6-9-19(3)21-11-12-22-20-13-17-27(29)24(28)10-7-15-26(27,5)23(20)14-16-25(21,22)4/h18-24,28-29H,6-17H2,1-5H3 |
| InChIKey | XHJMYRAEGCTDKQ-UHFFFAOYSA-N |
| Mol Weight | 404.7 g/mol |
| Molecular Formula | C27H48O2 |
| Exact Mass | 404.365431 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KhHMCv5EySx |
|---|---|
| Name | Cholestane-4,5-diol, (4.beta.,5.alpha.)- |
| CAS Registry Number | 20233-47-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H48O2 |
| InChI | InChI=1S/C27H48O2/c1-18(2)8-6-9-19(3)21-11-12-22-20-13-17-27(29)24(28)10-7-15-26(27,5)23(20)14-16-25(21,22)4/h18-24,28-29H,6-17H2,1-5H3 |
| InChIKey | XHJMYRAEGCTDKQ-UHFFFAOYSA-N |
| Molecular Weight | 404.679 g/mol |
| SMILES | OC1CCCC2(C3CCC4(C(CCC4C3CCC12O)C(CCCC(C)C)C)C)C |
| SPLASH | splash10-001i-7945000000-f73d7372c8bba181580a |
| Source of Spectrum | O-6-560-1 |
| Synonyms | Cholestane-4,5-diol 10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-4,5-diol 17-(1,5-dimethylhexyl)-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-4,5-diol 5.alpha.-Cholestane-4.beta.,5-diol |
| Wiley ID | 57533 |