| SpectraBase Compound ID | JSmoYJ16t5u |
|---|---|
| InChI | InChI=1S/C27H48O3/c1-17(16-28)5-10-25(30)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h17-25,28-30H,5-16H2,1-4H3 |
| InChIKey | UIHBLSYNQQGXQT-UHFFFAOYSA-N |
| Mol Weight | 420.7 g/mol |
| Molecular Formula | C27H48O3 |
| Exact Mass | 420.360345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 54ZdmY0v5U2 |
|---|---|
| Name | Cholestan-3,22,26-triol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 420.360345403 u |
| Formula | C27H48O3 |
| InChI | InChI=1S/C27H48O3/c1-17(16-28)5-10-25(30)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h17-25,28-30H,5-16H2,1-4H3 |
| InChIKey | UIHBLSYNQQGXQT-UHFFFAOYSA-N |
| Molecular Weight | 420.678 g/mol |
| SMILES | C1(CCC2(C(C1)CCC1C2CCC2(C1CCC2C(C(CCC(CO)C)O)C)C)C)O |