| SpectraBase Spectrum ID |
HNYRubiy2qG |
| Name |
Chol-4-en-24-oic acid, 3,12-dioxo-, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.261359635 u |
| Formula |
C25H36O4 |
| InChI |
InChI=1S/C25H36O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h13,15,18-21H,5-12,14H2,1-4H3/t15-,18+,19-,20+,21+,24+,25-/m1/s1 |
| InChIKey |
QKQUWQWYNGHINA-BYYWBWGMSA-N |
| Molecular Weight |
400.559 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2=O)[H])(CCC(=O)C4)C)[H])(CC[C@@]1([C@@](CCC(=O)OC)(C)[H])[H])[H])C |
