Products 123483-19-2

CAS 123483-19-2 appears in our catalog under these names: 3-O-Caffeoylquinic Acid Methyl Ester, 3-O-Caffeoylquinic acid methyl ester/ 99.57% (existing batch purity), 3–O–Caffeoylquinic acid methyl ester, 3-O-Caffeoylquinic acid methyl ester, 99.64%, Methyl (1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylate. Offered by: TRC, TargetMol, GLPBio, Biosynth, MedChemExpress. Available pack sizes: 100mg, 1mg, 5mg, 10mg, 25mg, 50mg, 10 mg, 5 mg.

3-O-Caffeoylquinic Acid Methyl Ester
TRC, Biosynth
  • size: 100mg, 10mg, 5mg, 25mg
  • Variants: 5
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3-O-Caffeoylquinic acid methyl ester/ 99.57% (existing batch purity)
TargetMol
  • size: 1mg, 5mg, 10mg, 25mg
  • Variants: 5
from 499.07
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3–O–Caffeoylquinic acid methyl ester
GLPBio
  • size: 1mg, 10mg, 5mg
  • Variants: 3
from 606.40
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3-O-Caffeoylquinic acid methyl ester, 99.64%
MedChemExpress
  • size: 10 mg, 5 mg
  • Variants: 2
from 886.26
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Methyl (1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylate
Chemat
  • size: 5mg, 25mg, 1mg, 10mg
  • Variants: 4
from 424.40
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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