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Glycocholic acid dihydrate
SpectraBase Compound ID 3kY62CPPO60
InChI InChI=1S/C26H43NO6.2O/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
InChIKey NDTKCRFUAGHZOH-HJRQWJHVSA-N
Mol Weight 497.629 g/mol
Molecular Formula C26H43NO8
Exact Mass 497.298867 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID fouzBd92dp
Name Glycocholic acid dihydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 360430
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H43NO8
InChI InChI=1S/C26H43NO6.2O/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
InChIKey NDTKCRFUAGHZOH-HJRQWJHVSA-N
Observed nucleus 13C
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_007475