| SpectraBase Compound ID | 13pb1pwo22Y |
|---|---|
| InChI | InChI=1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-16,18,20-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,18-,20+,21+,23+,24-/m1/s1 |
| InChIKey | XWJTYEGVQBFZHI-IMPNNSMHSA-N |
| Mol Weight | 390.6 g/mol |
| Molecular Formula | C24H38O4 |
| Exact Mass | 390.27701 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | JgwPyW7HHRm |
|---|---|
| Name | Apocholic acid |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 260142 |
| CAS Registry Number | 641-81-6 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H38O4 |
| InChI | InChI=1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-16,18,20-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,18-,20+,21+,23+,24-/m1/s1 |
| InChIKey | XWJTYEGVQBFZHI-IMPNNSMHSA-N |
| Observed nucleus | 1H |
| Purity | 96% |
| Solvent | DMSO-d6 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Synonyms | 3alpha,12alpha-Dihydroxy-5beta,8(14)-cholen-24-oic acid |
| Wiley ID | SIAL_1HNMR_004579 |