| SpectraBase Compound ID | 4zHU0TICwoV |
|---|---|
| InChI | InChI=1S/C26H43NO5.Na/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29;/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32);/q;+1/p-1/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-;/m1./s1 |
| InChIKey | AAYACJGHNRIFCT-YRJJIGPTSA-M |
| Mol Weight | 471.61376928 g/mol |
| Molecular Formula | C26H42NNaO5 |
| Exact Mass | 471.296068 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | EsXVCDQCPoF |
|---|---|
| Name | 5β-Cholanic acid-3α,7α-diol N-(carboxymethyl)amide sodium salt |
| Source of Sample | Steraloids Inc. |
| Catalog Number | C0962-000 |
| Lot Number | B0930 |
| CAS Registry Number | 16564-43-5 |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H42NNaO5 |
| InChI | InChI=1S/C26H43NO5.Na/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29;/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32);/q;+1/p-1/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-;/m1./s1 |
| InChIKey | AAYACJGHNRIFCT-YRJJIGPTSA-M |
| Instrument Name | Bio-Rad FTS |
| Molecular Weight | 471.614 g/mol |
| SMILES | [Na+].O[C@]1(C[C@]2(C[C@]([C@]3([C@@]4(CC[C@]([C@@](CCC(NCC([O-])=O)=O)(C)[H])([C@]4(CC[C@@]3([C@]2(CC1)C)[H])C)[H])[H])[H])(O)[H])[H])[H] |
| Source of Spectrum | Forensic Spectral Research |
| Synonyms | Glycochenodeoxycholic acid, sodium salt; Sodium Glycochenodeoxycholate |
| Technique | KBr1 |