| SpectraBase Compound ID | 3Ab5nE1QIoG |
|---|---|
| InChI | InChI=1S/C24H40O5.Na/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);/q;+1/p-1/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-;/m1./s1 |
| InChIKey | NRHMKIHPTBHXPF-TUJRSCDTSA-M |
| Mol Weight | 430.56076928 g/mol |
| Molecular Formula | C24H39NaO5 |
| Exact Mass | 430.269519 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DBxlh40iyx5 |
|---|---|
| Name | Cholic acid, monosodium salt |
| Copyright | Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H39NaO5 |
| InChI | InChI=1S/C24H40O5.Na/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);/q;+1/p-1/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-;/m1./s1 |
| InChIKey | NRHMKIHPTBHXPF-TUJRSCDTSA-M |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 41567M |
| Solvent | D2O |