SpectraBase Spectrum ID |
C5uoJ3iOY1n |
Name |
25-Hydroxycholesterol, 3-methyl ether |
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(8-7-15-26(2,3)29)23-11-12-24-22-10-9-20-18-21(30-6)13-16-27(20,4)25(22)14-17-28(23,24)5/h9,19,21-25,29H,7-8,10-18H2,1-6H3 |
InChIKey |
ICKQMIJINGRWRF-UHFFFAOYSA-N |
Molecular Weight |
416.690 g/mol |
SMILES |
C12(CCC(CC2=CCC2C1CCC1(C2CCC1C(CCCC(O)(C)C)C)C)OC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905247 |