| SpectraBase Spectrum ID |
27KFX7UmrNK |
| Name |
6-Methylcholestan-3-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.386166229 u |
| Formula |
C28H50O |
| InChI |
InChI=1S/C28H50O/c1-18(2)8-7-9-19(3)23-10-11-24-22-16-20(4)26-17-21(29)12-14-28(26,6)25(22)13-15-27(23,24)5/h18-26,29H,7-17H2,1-6H3 |
| InChIKey |
RGFQYUFAWHMRAU-UHFFFAOYSA-N |
| Molecular Weight |
402.707 g/mol |
| SMILES |
C12C(C3(C(C(C2)C)CC(CC3)O)C)CCC2(C1CCC2C(CCCC(C)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944162 |
