CAS 14534-61-3 appears in our catalog under these names: 3,4-Dicaffeoylquinic acid, 5 mg, Isochlorogenic Acid B (3,4-Dicaffeoylquinic Acid), Isochlorogenic Acid B, Isochlorogenic acid B, 3,4-Dicaffeoylquinic acid/ 98.03% (existing batch purity). Offered by: Roth, Chemat Brand, TRC, GLPBio, TargetMol. Available pack sizes: 5mg, on request, 2,5mg, 25mg, 20mg, 1mg, 10mg, 50mg.
4,5-di-O-caffeoylquinic acid is a quinic acid. It is a conjugate acid of a 4,5-di-O-caffeoyl quinate.
Source: ChEBI
| Molecular formula | C25H24O12 |
|---|---|
| Molecular weight | 516.4 g/mol |
| IUPAC name | (1R,3R,4S,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid |
| InChIKey | UFCLZKMFXSILNL-RVXRWRFUSA-N |
| SMILES | C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O |
Computed by PubChem (NCBI)