| SpectraBase Spectrum ID |
Ic99JQoTMez |
| Name |
Cholesterol, 7-oxo-, 2-ethylbutyrate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
498.407295596 u |
| Formula |
C33H54O3 |
| InChI |
InChI=1S/C33H54O3/c1-8-23(9-2)31(35)36-25-15-17-32(6)24(19-25)20-29(34)30-27-14-13-26(22(5)12-10-11-21(3)4)33(27,7)18-16-28(30)32/h20-23,25-28,30H,8-19H2,1-7H3 |
| InChIKey |
XKEGJRNLHRKOAB-UHFFFAOYSA-N |
| Molecular Weight |
498.792 g/mol |
| SMILES |
C1CC2(C(CC1OC(C(CC)CC)=O)=CC(C1C2CCC2(C1CCC2C(CCCC(C)C)C)C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920439 |
