| SpectraBase Spectrum ID |
5PbYl97r79y |
| Name |
5-.beta.-Cholestan-3.alpha.-ol, formate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
416.365430784 u |
| Formula |
C28H48O2 |
| InChI |
InChI=1S/C28H48O2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(30-18-29)13-15-27(21,4)26(23)14-16-28(24,25)5/h18-26H,6-17H2,1-5H3 |
| InChIKey |
CPSQZDFMYGLDLH-UHFFFAOYSA-N |
| Molecular Weight |
416.690 g/mol |
| SMILES |
C12(C(CCC3C2CCC2(C(CCC32)C(CCCC(C)C)C)C)CC(CC1)OC=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848124 |
