Products 123410-65-1

CAS 123410-65-1 appears in our catalog under these names: Neochlorogenic acid methyl ester, Neochlorogenic acid methyl ester/ 98.03% (existing batch purity), Neochlorogenic acid methyl ester, Neochlorogenic acid methyl ester, 98.12%. Offered by: GLPBio, TargetMol, Biosynth, MedChemExpress, Chemat. Available pack sizes: 1mg, 10mg, 100mg, 2mg, 25mg, 5mg, 10mM (in 1ml dmso), 50mg.

Neochlorogenic acid methyl ester
GLPBio
  • size: 1mg, 10mg, 100mg, 2mg
  • Variants: 8
from 728.09
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Neochlorogenic acid methyl ester/ 98.03% (existing batch purity)
TargetMol
  • size: 1mg, 2mg, 5mg, 10mg
  • Variants: 7
from 724.90
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Neochlorogenic acid methyl ester
Biosynth, Chemat
  • size: 5mg, 25mg, 10mg, 100mg
  • Variants: 13
from 434.00
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Neochlorogenic acid methyl ester, 98.12%
MedChemExpress
  • size: 1 mg, 5 mg
  • Variants: 2
from 598.33
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Structural formula: {0} (CAS {1})

Methyl (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate (CAS 123410-65-1) is a chemical compound with the molecular formula C17H20O9 and a molecular weight of 368.3 g/mol. IUPAC name: methyl (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate. InChIKey: MZNIJRAPCCELQX-NYCIAPANSA-N.

Identity
Molecular formulaC17H20O9
Molecular weight368.3 g/mol
IUPAC namemethyl (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate
InChIKeyMZNIJRAPCCELQX-NYCIAPANSA-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: Neochlorogenic acid methyl ester, 5-O-Caffeoylquinic acid methyl ester, methyl 5-caffeoylquinate, methyl 3-O-caffeoylquinate, methyl-5-O-caffeoylquinate, orb1297054
Related forms of this compound
methyl (1S,3R,4R,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
(1R,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid C17H20O9