| SpectraBase Compound ID | HLR0Prquyf4 |
|---|---|
| InChI | InChI=1S/C26H45NO6S.Na.H2O/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3;;/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);;1H2/q;+1;/p-1/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-;;/m1../s1 |
| InChIKey | OLPIZAYYAVQETM-GGPRKOIFSA-M |
| Mol Weight | 537.68776928 g/mol |
| Molecular Formula | C26H44NNaO7S |
| Exact Mass | 537.273618 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | 3WtyXC3pm8G |
|---|---|
| Name | Sodium taurodeoxycholate hydrate |
| Source of Sample | Aldrich |
| Catalog Number | 287245 |
| CAS Registry Number | 207737-97-1 |
| Comments | MW calculated on anhydrous base |
| Copyright | Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H44NNaO6S*xH2O |
| InChI | InChI=1S/C26H45NO6S.Na.H2O/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3;;/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);;1H2/q;+1;/p-1/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-;;/m1../s1 |
| InChIKey | OLPIZAYYAVQETM-GGPRKOIFSA-M |
| Purity | 95% |
| Synonyms | 2-([3alpha,12alpha-Dihydroxy-24-oxo-5beta-cholan-24-yl]amino)ethanesulfonic acid Taurodeoxycholic acid sodium salt hydrate |
| Wiley ID | SIAL_ATR-IR_014134 |