| SpectraBase Spectrum ID |
ijqTKjUCFW |
| Name |
3Beta,5-epoxy-3alpha-methoxy-A-homo-5beta-cholestane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
430.381080848 u |
| Formula |
C29H50O2 |
| InChI |
InChI=1S/C29H50O2/c1-20(2)8-7-9-21(3)23-10-11-24-22-12-15-28-17-19-29(30-6,31-28)18-16-27(28,5)25(22)13-14-26(23,24)4/h20-25H,7-19H2,1-6H3 |
| InChIKey |
TYOAUFOJHADKRX-UHFFFAOYSA-N |
| Molecular Weight |
430.717 g/mol |
| SMILES |
C12(C3(CCC4C2CCC2(C4CCC2C(CCCC(C)C)C)C)CCC(O3)(CC1)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92108 |
