Products 879305-14-3

CAS 879305-14-3 appears in our catalog under these names: 3,5-Dicaffeoyl-epi-quinic acid, 95%, 3,5–Dicaffeoyl–epi–quinic acid, 3,5-Dicaffeoyl-epi-quinic acid, 3,5-Dicaffeoyl-epi-quinic acid, 97.73%, 97.73%, 3,5-Dicaffeoyl-epi-quinic acid, 97.73%. Offered by: AmBeed, GLPBio, Biosynth, Chemat, MedChemExpress. Available pack sizes: 5mg, 1mg, 50mg, 25mg, 1 mg, 5 mg.

Structural formula: {0} (CAS {1})

3,5-di-O-caffeoyl quinic acid is a carboxylic ester that is the diester obtained by the condensation of the hydroxy groups at positions 3 and 5 of ()-quinic acid with the carboxy group of trans-caffeic acid. Isolated from Brazilian propolis and Suaeda glauca, it exhibits hepatoprotective and cytotoxic activities. It has a role as a metabolite, an antineoplastic agent and a hepatoprotective agent. It is a carboxylic ester and a cyclitol carboxylic acid. It is functionally related to a trans-caffeic acid and a (-)-quinic acid. It is a conjugate acid of a 3,5-di-O-caffeoyl quinate.

Source: ChEBI

Identity
Molecular formulaC25H24O12
Molecular weight516.4 g/mol
IUPAC nametrans-(3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid
InChIKeyKRZBCHWVBQOTNZ-RDJMKVHDSA-N
SMILESC1C(C[C@H](C([C@@H]1OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)(O)C(=O)O

Computed by PubChem (NCBI)