| SpectraBase Compound ID | F2hbSq0sqZd |
|---|---|
| InChI | InChI=1S/C24H40O5.Na.O/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 | WBGMEJNQMKVQDL-RCVKHMDESA-M |
| Mol Weight | 446.55976928 g/mol |
| Molecular Formula | C24H39NaO6 |
| Exact Mass | 446.264433 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | GnHlwP5Wyu1 |
|---|---|
| Name | Sodium cholate hydrate |
| Source of Sample | Aldrich |
| Catalog Number | 270911 |
| CAS Registry Number | 206986-87-0 |
| 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 | C24H39NaO5*xH2O |
| InChI | InChI=1S/C24H40O5.Na.O/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 | WBGMEJNQMKVQDL-RCVKHMDESA-M |
| Purity | 98% |
| Synonyms | 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid sodium salt |
| Wiley ID | SIAL_ATR-IR_013364 |