| SpectraBase Spectrum ID |
L2nKGN4BHd |
| Name |
5-.beta.-Cholestan-3.alpha.-ol, propionate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
444.396730912 u |
| Formula |
C30H52O2 |
| InChI |
InChI=1S/C30H52O2/c1-7-28(31)32-23-15-17-29(5)22(19-23)11-12-24-26-14-13-25(21(4)10-8-9-20(2)3)30(26,6)18-16-27(24)29/h20-27H,7-19H2,1-6H3 |
| InChIKey |
BZAVPIMVSGSUNL-UHFFFAOYSA-N |
| Molecular Weight |
444.744 g/mol |
| SMILES |
CC(C1C2(CCC3C(C2CC1)CCC1C3(CCC(C1)OC(CC)=O)C)C)CCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879297 |
