(1S,3R,4R,5R)-3,4-Bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,5-dihydroxycyclohexanecarboxylic acid, 98%, 98%

cas: 14534-61-3 — see every product listed under this CAS number, including other names

(1S,3R,4R,5R)-3,4-Bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,5-dihydroxycyclohexanecarboxylic acid, 98%, 98% (CAS 14534-61-3) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg, 100mg, 250mg. Offered by: Chemat.

• 2D
• 3D

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

Identity

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)

Synonyms: 3,4-Dicaffeoylquinic acid, Isochlorogenic acid C, Isochlorogenic acid C(4,5), 3,4-Di-O-Caffeoylquinic acid, 3,4-O-dicaffeoylquinic acid, isochlorogenic-acid-c, Isochlorogenic acid C?, 4,5-Dicaffeoylquinic acids, 3,4-di-caffeoylquinic acid, 3,4-di-O-caffeoylquinicacid

Related forms of this compound

(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)-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

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)-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)-1,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,5-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)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-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