| SpectraBase Spectrum ID |
CGLND80LSo7 |
| Name |
Cholestan-16,22-epoxy-26-ol-3-one ethyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
444.360345403 u |
| Formula |
C29H48O3 |
| InChI |
InChI=1S/C29H48O3/c1-6-31-18(2)8-7-9-25-19(3)27-26(32-25)17-24-22-11-10-20-16-21(30)12-14-28(20,4)23(22)13-15-29(24,27)5/h18-20,22-27H,6-17H2,1-5H3 |
| InChIKey |
IYESHEBTMKZHRD-UHFFFAOYSA-N |
| Molecular Weight |
444.700 g/mol |
| SMILES |
C1(CCC2(C(C1)CCC1C2CCC2(C1CC1C2C(C(O1)CCCC(C)OCC)C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920677 |
