| SpectraBase Spectrum ID |
HkHam709J12 |
| Name |
Cholesterol, 7-oxo-, isovalerate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
484.391645531 u |
| Formula |
C32H52O3 |
| InChI |
InChI=1S/C32H52O3/c1-20(2)9-8-10-22(5)25-11-12-26-30-27(14-16-32(25,26)7)31(6)15-13-24(18-23(31)19-28(30)33)35-29(34)17-21(3)4/h19-22,24-27,30H,8-18H2,1-7H3 |
| InChIKey |
PVUFFXVHNLSYAY-UHFFFAOYSA-N |
| Molecular Weight |
484.765 g/mol |
| SMILES |
C1CC2(C(CC1OC(CC(C)C)=O)=CC(C1C2CCC2(C1CCC2C(CCCC(C)C)C)C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960389 |
