| 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 |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 4Otd9C5o157 |
|---|---|
| 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 | 13C |
| Purity | 98% |
| Solvent | Pyridine-d5 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Wiley ID | SIAL_13CNMR_001019 |