| SpectraBase Spectrum ID |
2Zzoypl4GHV |
| Name |
Cholesta-8,24-dien-3-one, 4-methyl-, (4.beta.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.339216036 u |
| Formula |
C28H44O |
| InChI |
InChI=1S/C28H44O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8,19-20,22-24H,7,9-17H2,1-6H3/t19-,20-,22-,23?,24+,27-,28+/m1/s1 |
| InChIKey |
DBPZYKHQDWKORQ-PSIAUDTGSA-N |
| Molecular Weight |
396.659 g/mol |
| SMILES |
C=12[C@@]3(C([C@@](C)(C(CC3)=O)[H])CCC1[C@@]1(CC[C@@]([C@]1(CC2)C)([C@@](CCC=C(C)C)(C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946951 |
