| SpectraBase Spectrum ID |
AMvh3XRjc1R |
| Name |
Cholic acid |
| Alternate Name(s) |
3.alpha.,7.alpha.,12.alpha.-trihydroxy-5.beta.-cholan-24-oic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H40O5 |
| InChI |
InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29) |
| InChIKey |
BHQCQFFYRZLCQQ-UHFFFAOYSA-N |
| Ionization Type |
EI-B |
| Molecular Weight |
408.579 g/mol |
| SMILES |
OC1CC2C(C(CC3CC(CCC23C)O)O)C2C1(C(CC2)C(C)CCC(O)=O)C |
| SPLASH |
splash10-0fk9-5796000000-b7ca5b49515e19ae556c |
| Source of Spectrum |
SRH-2022-11901-0 |
| Wiley ID |
1833447 |
