rel-(1alpha,3R,4alpha,5R)-1,4-Bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,5-dihydroxycyclohexanecarboxylic acid, 95% (E)

cas: 1182-34-9 — see every product listed under this CAS number, including other names

rel-(1alpha,3R,4alpha,5R)-1,4-Bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,5-dihydroxycyclohexanecarboxylic acid, 95% (E) (CAS 1182-34-9) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg, 100mg. Offered by: BLDpharm.

• 2D
• 3D

1,4-Di-O-caffeoylquinic acid is a quinic acid.

Source: ChEBI

Identity

Molecular formula	C25H24O12
Molecular weight	516.4 g/mol
IUPAC name	trans-(3R,5R)-1,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,5-dihydroxycyclohexane-1-carboxylic acid
InChIKey	IYXQRCXQQWUFQV-RDJMKVHDSA-N
SMILES	C1[C@H](C([C@@H](CC1(C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O

Computed by PubChem (NCBI)

Synonyms: Dicaffeoylquinic acid, 1,4-Dicaffeoylquinic acid, 1,4-Di-O-caffeoylquinic acid, 1,4-Dicqa, 1,4-Dicaffeylquinic acid, 1,4-O-Dicaffeoylquinic acid, CIN [Italian], 1,4-di-caffeoylquinic acid, Acido, 1,4-dicaffeilchinico, 1,4-O-di-caffeoylquinic acid

Isomers (same molecular formula)

(1S,3R,4R,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylic acid C₂₅H₂₄O₁₂

trans-(3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid C₂₅H₂₄O₁₂

(1R,3R,4S,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid C₂₅H₂₄O₁₂

(1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid C₂₅H₂₄O₁₂

(1R,3R,4S,5R)-1,3-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid C₂₅H₂₄O₁₂

trans-(3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid C₂₅H₂₄O₁₂

[(2S,3S,4S,5R,6S)-4-acetyloxy-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-5-hydroxy-2-methyloxan-3-yl] acetate C₂₅H₂₄O₁₂

trans-(3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid C₂₅H₂₄O₁₂

(1R,3R,4S,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylic acid C₂₅H₂₄O₁₂

(1R,3R,4S,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid C₂₅H₂₄O₁₂

(1S,3R,4R,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylic acid C₂₅H₂₄O₁₂

(1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid C₂₅H₂₄O₁₂