| SpectraBase Spectrum ID |
J1lCN6idRYE |
| Name |
Cholan-24-oic acid, 3,6-dioxo-, methyl ester, (5.beta.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.277009700 u |
| Formula |
C25H38O4 |
| InChI |
InChI=1S/C25H38O4/c1-15(5-8-23(28)29-4)18-6-7-19-17-14-22(27)21-13-16(26)9-11-25(21,3)20(17)10-12-24(18,19)2/h15,17-21H,5-14H2,1-4H3/t15-,17+,18-,19+,20+,21+,24-,25-/m1/s1 |
| InChIKey |
DSADZYPPAGRNLW-XCVUNFFJSA-N |
| Molecular Weight |
402.575 g/mol |
| SMILES |
[C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCC(=O)OC)(C)[H])[H])[H])([H])CC([C@@]2(CC(CC1)=O)[H])=O)[H])C |
