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Taurolithocholic acid sodium salt
SpectraBase Compound ID GbpVYOJNgLa
InChI InChI=1S/C26H45NO5S.Na/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3;/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32);/q;+1/p-1/t17-,18-,19-,20+,21-,22+,23+,25+,26-;/m1./s1
InChIKey YAERYJYXPRIDTO-HRHHVWJRSA-M
Mol Weight 505.68976928 g/mol
Molecular Formula C26H44NNaO5S
Exact Mass 505.283789 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID DFG0JkcRlbR
Name Taurolithocholic acid sodium salt
Source of Sample Calbiochem, EMD Chemicals, Inc., an Affiliate of Merck KGaA, Darmstadt, Germany
Catalog Number 580352
Lot Number 610055
CAS Registry Number 6042-32-6
Classification bile salt with detergent qualities that give it the ability to solubilize insoluble lipids
Compound Type Pure
Copyright Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H44NNaO5S
InChI InChI=1S/C26H45NO5S.Na/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3;/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32);/q;+1/p-1/t17-,18-,19-,20+,21-,22+,23+,25+,26-;/m1./s1
InChIKey YAERYJYXPRIDTO-HRHHVWJRSA-M
Molecular Weight 505.690 g/mol
Raman Corrections Referenced to internal white light source; 180 Degree backscatter
Raman Laser Source Nd:YAG
Sample Description white powder
Source of Spectrum Forensic Spectral Research
Synonyms 3α-Hydroxy-5β-cholan-24-oic acid N-(2-sulfoethyl)amide; Sodium taurolithocholate
Technique FT-Raman