| SpectraBase Compound ID | 2gJAARZj2Em |
|---|---|
| InChI | InChI=1S/C26H43NO6.Na.O/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29;;/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33);;/q;+1;/p-1/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-;;/m1../s1 |
| InChIKey | PCOGFOXDDOYQNX-HJRQWJHVSA-M |
| Mol Weight | 503.61176928 g/mol |
| Molecular Formula | C26H42NNaO7 |
| Exact Mass | 503.285897 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 4QwsdetL5Gk |
|---|---|
| Name | Sodium glycocholate hydrate |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 360449 |
| CAS Registry Number | 338950-81-5 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H42NNaO7 |
| InChI | InChI=1S/C26H43NO6.Na.O/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29;;/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33);;/q;+1;/p-1/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-;;/m1../s1 |
| InChIKey | PCOGFOXDDOYQNX-HJRQWJHVSA-M |
| Observed nucleus | 1H |
| Purity | 97% |
| Solvent | DMSO-d6 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Synonyms | 3a,7a,12a-Trihydroxy-5beta-cholan-24-oic acid N-(carboxymethyl)amide sodium salt, Glycocholic acid sodium salt hydrate, N-(3a,7a,12a-Trihydroxy-24-oxocholan-24-yl)glycine sodium salt, N-Cholylglycine sod ium salt |
| Wiley ID | SIAL_1HNMR_007407 |