For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Sodium glycocholate hydrate
SpectraBase Compound ID 2gJAARZj2Em
InChI InChI=1S/C26H43NO6.Na.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);;/q;+1;/p-1/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-;;/m1../s1
InChIKey PCOGFOXDDOYQNX-HJRQWJHVSA-M
Mol Weight 503.61176928 g/mol
Molecular Formula C26H42NNaO7
Exact Mass 503.285897 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4QwsdetL5Gk
Name Sodium glycocholate hydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 360449
CAS Registry Number 338950-81-5
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H42NNaO7
InChI InChI=1S/C26H43NO6.Na.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);;/q;+1;/p-1/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-;;/m1../s1
InChIKey PCOGFOXDDOYQNX-HJRQWJHVSA-M
Observed nucleus 1H
Purity 97%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 3a,7a,12a-Trihydroxy-5beta-cholan-24-oic acid N-(carboxymethyl)amide sodium salt, Glycocholic acid sodium salt hydrate, N-(3a,7a,12a-Trihydroxy-24-oxocholan-24-yl)glycine sodium salt, N-Cholylglycine sod ium salt
Wiley ID SIAL_1HNMR_007407