SpectraBase Compound ID | 13pb1pwo22Y |
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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 |
SpectraBase Spectrum ID | 1E9NUbFNQL8 |
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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 | 13C |
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_13CNMR_004626 |