| SpectraBase Compound ID | BUmVFfegVW9 |
|---|---|
| InChI | InChI=1S/C26H45NO7S.Na.O/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);;/q;+1;/p-1/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-;;/m1../s1 |
| InChIKey | VTGAPYXTLUPFCE-NEMAEHQESA-M |
| Mol Weight | 553.68676928 g/mol |
| Molecular Formula | C26H44NNaO8S |
| Exact Mass | 553.268533 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | DGrYKk51Tf2 |
|---|---|
| Name | Taurocholic acid sodium salt hydrate |
| Source of Sample | Aldrich |
| Catalog Number | 861960 |
| CAS Registry Number | 345909-26-4 |
| Comments | MW calculated on anhydrous base |
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H44NNaO7S*xH2O |
| InChI | InChI=1S/C26H45NO7S.Na.O/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);;/q;+1;/p-1/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-;;/m1../s1 |
| InChIKey | VTGAPYXTLUPFCE-NEMAEHQESA-M |
| Purity | 97% |
| Synonyms | 2-[(3a,7a,12a-Trihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonic acid 3a,7a,12a-Trihydroxy-5beta-cholan-24-oic acid N-(2-sulfoethyl)amide Sodium taurocholate hydrate |
| Wiley ID | SIAL_ATR-IR_022203 |