John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=oifydJEwwN SpectraBase Spectrum ID=2aoHnbwp0Bc

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Glycocholic acid
SpectraBase Compound ID oifydJEwwN
InChI InChI=1S/C26H43NO6/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 RFDAIACWWDREDC-FRVQLJSFSA-N
Mol Weight 465.6 g/mol
Molecular Formula C26H43NO6
Exact Mass 465.309038 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2aoHnbwp0Bc
Name Glycocholic acid
Source of Sample Fluka AG, Buchs, Switzerland
CAS Registry Number 475-31-0
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H43NO6
InChI InChI=1S/C26H43NO6/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 RFDAIACWWDREDC-FRVQLJSFSA-N
Molecular Weight 465.64
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
SpectraBase Batch ID GKqYXOycFUw