| SpectraBase Compound ID | A3gPvYg4ZFT |
|---|---|
| InChI | InChI=1S/C27H48O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-25,28-29H,6-16H2,1-5H3 |
| InChIKey | PMWTYEQRXYIMND-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 | KZenAtRGeY0 |
|---|---|
| Name | Cholestane-3,6-diol |
| Alternate Name(s) | Cholestane-3,6-diol, (3.beta.,5.alpha.,6.alpha.)- Cholestane-3,6-diol, (3.beta.,5.alpha.,6.alpha.,17.alpha.,20S)- 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol 17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol 5.alpha.,17.alpha.,20.alpha.-Cholestane-3.beta.,6.alpha.-diol 5.alpha.-Cholestane-3.beta.,6.alpha.-diol Cholestan-3,26-diol |
| CAS Registry Number | 41083-73-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H48O2 |
| InChI | InChI=1S/C27H48O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-25,28-29H,6-16H2,1-5H3 |
| InChIKey | PMWTYEQRXYIMND-UHFFFAOYSA-N |
| Molecular Weight | 404.679 g/mol |
| SMILES | OC1CCC2(C(C(CC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)O)C1)C |
| SPLASH | splash10-001i-7961000000-5220d2a684ceb0eab393 |
| Source of Spectrum | SD-1981-0-0 |
| Wiley ID | 57538 |