Isochlorogenic Acid B (3,4-Dicaffeoylquinic Acid)

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

Isochlorogenic Acid B (3,4-Dicaffeoylquinic Acid) (CAS 14534-61-3) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULC228005
cas14534-61-3
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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categoryChemicals
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Structural formula: {0} (CAS {1})

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 formulaC25H24O12
Molecular weight516.4 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
InChIKeyUFCLZKMFXSILNL-RVXRWRFUSA-N
SMILESC1[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

Also listed as

3,4-Dicaffeoylquinic acid, 5 mg Roth CAS 14534-61-3
Isochlorogenic Acid B TRC CAS 14534-61-3
Isochlorogenic acid B GLPBio CAS 14534-61-3
3,4-Dicaffeoylquinic acid/ 98.03% (existing batch purity) TargetMol CAS 14534-61-3
3,4-Dicaffeoylquinic acid Biosynth CAS 14534-61-3
(1S,3R,4R,5R)-3,4-Bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,5-dihydroxycyclohexanecarboxylic acid, 98%, 98% Chemat CAS 14534-61-3
3,4-Dicaffeoylquinic acid, 98.15% MedChemExpress CAS 14534-61-3
3,4-Dicaffeoylquinic acid (Standard) MedChemExpress CAS 14534-61-3
3,4-Dicaffeoylquinic acid, 2 mg Roth CAS 14534-61-3
3,4-Dicaffeoylquinic acid, 10 mg Roth CAS 14534-61-3
3,4-Dicaffeoylquinic acid, 25 mg Roth CAS 14534-61-3
Isochlorogenic acid B, 98% (E) Ambeed CAS 14534-61-3
(1S,3R,4R,5R)-3,4-Bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,5-dihydroxycyclohexanecarboxylic acid, 98% Chemat CAS 14534-61-3
3,4-Dicaffeoylquinic Acid, 98% (E) BLDpharm CAS 14534-61-3
3,4-di-o-caffeoylquinic acid, >=95% Sigma-Aldrich CAS 14534-61-3
3,4-Dicaffeoylquinic acid, 98% 3,4-Dicaffeoylquinic acid, 98% Fluorochem CAS 14534-61-3