3-O-Caffeoylquinic Acid Methyl Ester

cas: 123483-19-2 — see every product listed under this CAS number, including other names

3-O-Caffeoylquinic Acid Methyl Ester (CAS 123483-19-2) is a chemical reagent available from Chemat. Available pack sizes: 100mg, 10mg, 5mg, 25mg, 50mg. Offered by: TRC, Biosynth.

brandTRC
catalog numberTRC-O215110-100MG
cas123483-19-2
size100mg
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properties

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

3-O-caffeoylquinic acid methyl ester is a quinic acid.

Source: ChEBI

Identity
Molecular formulaC17H20O9
Molecular weight368.3 g/mol
IUPAC namemethyl (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate
InChIKeyMZNIJRAPCCELQX-AWOKGZDASA-N
SMILESCOC(=O)[C@@]1(C[C@H]([C@H]([C@@H](C1)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Methyl chlorogenate, 3-O-Caffeoylquinic acid methyl ester, Methyl 5-o-caffeoylquinate, Chlorogenic acid, methyl ester, Chlorogenic methyl ester, Chlorogenic acid methyl ester, Chlorogenic acid methylester, methyl-3-O-caffeoylquinate, orb1219412, orb1297496
Related forms of this compound
methyl (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate C17H20O9
methyl (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylate C17H20O9
Isomers (same molecular formula)
(1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid C17H20O9
(1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid C17H20O9
(1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid C17H20O9
trans-(3R,5R)-1,3,5-trihydroxy-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid C17H20O9
(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-4,5-dihydroxy-1-methoxycyclohexane-1-carboxylic acid C17H20O9
(1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid C17H20O9
trans-(3R,5R)-1,3,5-trihydroxy-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid C17H20O9
trans-methyl (3R,5R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-trihydroxycyclohexane-1-carboxylate C17H20O9

Also listed as

3-O-Caffeoylquinic acid methyl ester/ 99.57% (existing batch purity) TargetMol CAS 123483-19-2
3–O–Caffeoylquinic acid methyl ester GLPBio CAS 123483-19-2
3-O-Caffeoylquinic acid methyl ester, 99.64% MedChemExpress CAS 123483-19-2
Methyl (1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylate Chemat CAS 123483-19-2
3-O-Caffeoylquinic acid methyl ester, 99% Ambeed CAS 123483-19-2