1,4-Dicaffeoylquinic acid (Standard)

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

1,4-Dicaffeoylquinic acid (Standard) (CAS 1182-34-9) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas1182-34-9
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Structural formula: {0} (CAS {1})

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

Source: ChEBI

Identity
Molecular formulaC25H24O12
Molecular weight516.4 g/mol
IUPAC nametrans-(3R,5R)-1,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,5-dihydroxycyclohexane-1-carboxylic acid
InChIKeyIYXQRCXQQWUFQV-RDJMKVHDSA-N
SMILESC1[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

Also listed as

1,4-Dicaffeoylquinic acid/ 98.09% (existing batch purity) TargetMol CAS 1182-34-9
1,4–Dicaffeoylquinic acid GLPBio CAS 1182-34-9
1,4-Dicaffeoylquinic acid Biosynth CAS 1182-34-9
1,4-Dicaffeoylquinic acid 95% (E) Ambeed CAS 1182-34-9
Cynarin, 95% (E), 95% (E) Chemat CAS 1182-34-9
1,4-Dicaffeoylquinic acid, 99.80% MedChemExpress CAS 1182-34-9
Cynarin, ROTICHROM® HPLC, 10 mg, glass Roth CAS 1182-34-9
Cynarin, with analytical records, 10 mg, glass Roth CAS 1182-34-9

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