| SpectraBase Spectrum ID |
5QlPrZUk7sp |
| Name |
5-Cholesten-3.beta.-ol-7-one, methyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.349780719 u |
| Formula |
C28H46O2 |
| InChI |
InChI=1S/C28H46O2/c1-18(2)8-7-9-19(3)22-10-11-23-26-24(13-15-28(22,23)5)27(4)14-12-21(30-6)16-20(27)17-25(26)29/h17-19,21-24,26H,7-16H2,1-6H3 |
| InChIKey |
YLJFYUPNPBFGPI-UHFFFAOYSA-N |
| Molecular Weight |
414.674 g/mol |
| SMILES |
C12(C(C3C(C4(C(CC(CC4)OC)=CC3=O)C)CC1)CCC2C(CCCC(C)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908058 |
