| SpectraBase Compound ID | IGV8Y7DFJlP |
|---|---|
| InChI | InChI=1S/C28H50O2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-21-15-26(30)20(17-29)16-28(21,5)25(22)13-14-27(23,24)4/h18-26,29-30H,6-17H2,1-5H3/t19-,20+,21+,22+,23-,24+,25+,26-,27-,28+/m1/s1 |
| InChIKey | KMIPAQJJAADMET-KKUGEXSCSA-N |
| Mol Weight | 418.7 g/mol |
| Molecular Formula | C28H50O2 |
| Exact Mass | 418.381081 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8G9RWzQkmtg |
|---|---|
| Name | 5.alpha.-Cholestane-2.alpha.-methanol, 3.beta.-hydroxy- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 418.381080848 u |
| Formula | C28H50O2 |
| InChI | InChI=1S/C28H50O2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-21-15-26(30)20(17-29)16-28(21,5)25(22)13-14-27(23,24)4/h18-26,29-30H,6-17H2,1-5H3/t19-,20+,21+,22+,23-,24+,25+,26-,27-,28+/m1/s1 |
| InChIKey | KMIPAQJJAADMET-KKUGEXSCSA-N |
| Molecular Weight | 418.706 g/mol |
| SMILES | [C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@]2(C[C@@](O)([C@@](C1)(CO)[H])[H])[H])[H])C |