| 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 |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | CpDbanFtE8d |
|---|---|
| Name | Lithocholic acid |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 860069 |
| CAS Registry Number | 434-13-9 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 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 |
| Observed nucleus | 13C |
| Purity | 98% |
| Solvent | Methanol-d4 |
| 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 |
| Wiley ID | SIAL_13CNMR_010552 |