| SpectraBase Spectrum ID |
9kvraYYir7e |
| Name |
Cholestane, 5,6-epoxy-, (5.alpha.,6.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
386.354866100 u |
| Formula |
C27H46O |
| InChI |
InChI=1S/C27H46O/c1-18(2)9-8-10-19(3)21-11-12-22-20-17-24-27(28-24)15-7-6-14-26(27,5)23(20)13-16-25(21,22)4/h18-24H,6-17H2,1-5H3 |
| InChIKey |
OJFSRAVBTAGBIM-UHFFFAOYSA-N |
| Molecular Weight |
386.664 g/mol |
| SMILES |
CC12C3(C(CC4C2CCC2(C4CCC2C(CCCC(C)C)C)C)O3)CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868942 |
