| SpectraBase Spectrum ID |
5toUdEswKRt |
| Name |
Cholestane, 3,4-epoxy-2-methyl-, (2.alpha.,3.alpha.,4.alpha.,5.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.370516165 u |
| Formula |
C28H48O |
| InChI |
InChI=1S/C28H48O/c1-17(2)8-7-9-18(3)21-12-13-22-20-10-11-24-26-25(29-26)19(4)16-28(24,6)23(20)14-15-27(21,22)5/h17-26H,7-16H2,1-6H3 |
| InChIKey |
SHFATTXZPODCPH-UHFFFAOYSA-N |
| Molecular Weight |
400.691 g/mol |
| SMILES |
CC12C(C3C(C(C2)C)O3)CCC2C1CCC1(C2CCC1C(CCCC(C)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928146 |
