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Lithocholic acid
SpectraBase Compound ID 6GlTyxUEgu8
InChI InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1
InChIKey SMEROWZSTRWXGI-HVATVPOCSA-N
Mol Weight 376.6 g/mol
Molecular Formula C24H40O3
Exact Mass 376.297745 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 8jQfpqrNDeN
Name Lithocholic acid
Source of Sample Aldrich
Catalog Number 860069
CAS Registry Number 434-13-9
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H40O3
InChI InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1
InChIKey SMEROWZSTRWXGI-HVATVPOCSA-N
Purity 98%
Synonyms 3a-Hydroxy-5beta-cholan-24-oic acid 3a-Hydroxy-5beta-cholanic acid 5beta-Cholan-24-oic acid-3a-ol
Wiley ID SIAL_ATR-IR_022129