SpectraBase Compound ID | HPYHBX1QDqU |
---|---|
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)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1 |
InChIKey | BHQCQFFYRZLCQQ-OELDTZBJSA-N |
Mol Weight | 408.6 g/mol |
Molecular Formula | C24H40O5 |
Exact Mass | 408.287574 g/mol |
SpectraBase Spectrum ID | FW3Sp4suhxh |
---|---|
Name | Cholic acid |
Source of Sample | Sigma-Aldrich Co. LLC. |
Catalog Number | 135240 |
CAS Registry Number | 81-25-4 |
Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 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)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1 |
InChIKey | BHQCQFFYRZLCQQ-OELDTZBJSA-N |
Observed nucleus | 1H |
Purity | 98% |
Solvent | Pyridine-d5 |
Source of Spectrum | Sigma-Aldrich Co. LLC. |
Wiley ID | SIAL_1HNMR_001004 |