| SpectraBase Compound ID | H7XbH99WaBC |
|---|---|
| InChI | InChI=1S/C27H48O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h18-25,28-29H,5-17H2,1-4H3/t18-,19+,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1 |
| InChIKey | DKISDYAXCJJSLZ-AWCLZZHWSA-N |
| Mol Weight | 404.7 g/mol |
| Molecular Formula | C27H48O2 |
| Exact Mass | 404.365431 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dpj06B60I3q |
|---|---|
| Name | 5.alpha.-Cholestan-3.beta.,26-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 404.365430784 u |
| Formula | C27H48O2 |
| InChI | InChI=1S/C27H48O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h18-25,28-29H,5-17H2,1-4H3/t18-,19+,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1 |
| InChIKey | DKISDYAXCJJSLZ-AWCLZZHWSA-N |
| Molecular Weight | 404.679 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](O)(C4)[H])C)[H])[H])(CC[C@@]1([C@@](CCC[C@@](CO)(C)[H])(C)[H])[H])[H])C |