| SpectraBase Compound ID | 4bY1zTWTcE4 |
|---|---|
| InChI | InChI=1S/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3 |
| InChIKey | YMMFNKXZULYSOQ-UHFFFAOYSA-N |
| Mol Weight | 420.7 g/mol |
| Molecular Formula | C27H48O3 |
| Exact Mass | 420.360345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FTdSnVZ0InX |
|---|---|
| Name | 5.alpha.-Cholestane-3.beta.,5,6.beta.-triol |
| CAS Registry Number | 1253-84-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H48O3 |
| InChI | InChI=1S/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3 |
| InChIKey | YMMFNKXZULYSOQ-UHFFFAOYSA-N |
| Molecular Weight | 420.678 g/mol |
| SMILES | OC12C(C3C(CC2O)C2C(CC3)(C(CC2)C(CCCC(C)C)C)C)(C)CCC(C1)O |
| SPLASH | splash10-0w5a-0094300000-94ef7cb3cad84f71f95a |
| Source of Spectrum | X2-54-1573-1 |
| Synonyms | Cholestane-3,5,6-triol, (3.beta.,5.alpha.,6.beta.)- Cholestane-3,5,6-triol 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-3,5,6-triol 17-(1,5-dimethylhexyl)-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol 3.beta.,5.alpha.,6.beta.-Trihydroxycholestane Cholesta-3.beta.,5.alpha.,6.beta.-triol Cholestan-3-.beta.,5-.alpha.,6-.beta.-triol Cholestane-3,5,6-triol, (3-beta,5-alpha,6-beta)- AI3-62264 CCRIS 2836 NSC 124751 NSC 18178 |
| Wiley ID | 1604240 |