| SpectraBase Compound ID | GhtbX3S4fao |
|---|---|
| InChI | InChI=1S/C26H43NO6.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);/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-;/m1./s1/i23+1; |
| InChIKey | QQTASIZVPVTHFE-TXDHSPGBSA-N |
| Mol Weight | 482.6 g/mol |
| Molecular Formula | C2513CH43NO7 |
| Exact Mass | 482.307308 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 1vbVpGM92oy |
|---|---|
| Name | Glycocholic acid-(glycyl-1-13C) monohydrate |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 337609 |
| CAS Registry Number | 64431-95-4 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25[13C]H43NO7 |
| InChI | InChI=1S/C26H43NO6.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);/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-;/m1./s1/i23+1; |
| InChIKey | QQTASIZVPVTHFE-TXDHSPGBSA-N |
| Observed nucleus | 1H |
| Purity | 99 atom% 13C |
| Solvent | DMSO-d6 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Synonyms | Glycocholic acid-(glycyl-1-13C) monohydrate, 99 atom% 13C |
| Wiley ID | SIAL_1HNMR_006836 |