| SpectraBase Compound ID | DaDQGXCOR9o |
|---|---|
| InChI | InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 |
| InChIKey | RUDATBOHQWOJDD-BSWAIDMHSA-N |
| Mol Weight | 392.6 g/mol |
| Molecular Formula | C24H40O4 |
| Exact Mass | 392.29266 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 8oiZl5ELFHZ |
|---|---|
| Name | Chenodeoxycholic acid |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 859109 |
| CAS Registry Number | 474-25-9 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H40O4 |
| InChI | InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 |
| InChIKey | RUDATBOHQWOJDD-BSWAIDMHSA-N |
| Observed nucleus | 1H |
| Purity | 98% |
| Solvent | DMSO-d6 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Synonyms | 3a,7a-Dihydroxy-5beta-cholanic acid 5beta-Cholanic acid-3a,7a-diol Chenodiol |
| Wiley ID | SIAL_1HNMR_010466 |