Products 123372-74-7

CAS 123372-74-7 appears in our catalog under these names: Methyl 4-caffeoylquinate, Methyl 4-O-caffeoylquinate, Methyl (1S,3R,4S,5R)-4-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,3,5-trihydroxycyclohexane-1-carboxylate, ≥95%. Offered by: Biosynth, MedChemExpress, Chemat. Available pack sizes: 25mg, 50mg, Get quote, 20mg.

Methyl 4-caffeoylquinate
Biosynth
  • size: 25mg, 50mg
  • Variants: 2
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Methyl 4-O-caffeoylquinate
MedChemExpress
  • size: Get quote
  • Variants: 1
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Methyl (1S,3R,4S,5R)-4-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,3,5-trihydroxycyclohexane-1-carboxylate, ≥95%
Chemat
  • size: 20mg
  • Variants: 1
from 3904.40
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Structural formula: {0} (CAS {1})

4-O-E-caffeoylquinic acid methyl ester is a quinic acid. It is functionally related to a 4-O-trans-caffeoylquinic acid.

Source: ChEBI

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

Computed by PubChem (NCBI)

Synonyms: Methyl 4-caffeoylquinate, Methyl 4-O-caffeoylquinate, 4-O-Caffeoylquinic acid methyl ester, Cryptochlorogenic acid methyl ester, methyl-4-O-caffeoylquinate, orb1682129, 4-caffeoylquinic acid methyl ester, 4-O-trans-caffeoylquinic acid methyl ester
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
methyl (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate 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
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
(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
(1R,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid C17H20O9