SpectraBase Compound ID | 6GlTyxUEgu8 |
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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 |
SpectraBase Spectrum ID | C2YBNQeeiUG |
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Name | Lithocholic acid |
Source of Sample | Aldrich |
Catalog Number | 860069 |
CAS Registry Number | 434-13-9 |
Classification | Steroids and indole alkaloids |
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% |
Solvent | Nujol |
Source of Spectrum | Sigma-Aldrich Co. LLC. |
Synonyms | 3a-Hydroxy-5beta-cholan-24-oic acid 3a-Hydroxy-5beta-cholanic acid 5beta-Cholan-24-oic acid-3a-ol |
Technique | Mull |
Wiley ID | SIAL_FTIR_1_8589 |