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Glycocholic acid-(glycyl-1-13C) monohydrate
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

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