Products 29708-87-0

CAS 29708-87-0 appears in our catalog under these names: Methyl chlorogenate, methyl chlorogenate/ 99.8% (existing batch purity), Methyl chlorogenate, Methyl chlorogenate 98% (E), Methyl chlorogenate, 99.28%. Offered by: GLPBio, TargetMol, Biosynth, Ambeed, Chemat. Available pack sizes: 1mg, 10mg, 5mg, 25mg, 10 mg, 1 mg, 5 mg.

Methyl chlorogenate
GLPBio
  • size: 1mg, 10mg, 5mg
  • Variants: 3
from 667.25
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methyl chlorogenate/ 99.8% (existing batch purity)
TargetMol
  • size: 1mg, 5mg, 10mg, 25mg
  • Variants: 4
from 499.07
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Methyl chlorogenate
Biosynth, Chemat
  • size: 5mg, 1mg, 10mg, 25mg
  • Variants: 8
from 227.60
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Methyl chlorogenate 98% (E)
Ambeed
  • size: 5mg, 10mg, 25mg
  • Variants: 3
from 559.50
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Methyl chlorogenate, 99.28%
MedChemExpress
  • size: 10 mg, 1 mg, 5 mg
  • Variants: 3
from 361.49
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Structural formula: {0} (CAS {1})

Methyl (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylate (CAS 29708-87-0) is a chemical compound with the molecular formula C17H20O9 and a molecular weight of 368.3 g/mol. IUPAC name: methyl (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylate. InChIKey: MZNIJRAPCCELQX-SMKXDYDZSA-N.

Identity
Molecular formulaC17H20O9
Molecular weight368.3 g/mol
IUPAC namemethyl (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylate
InChIKeyMZNIJRAPCCELQX-SMKXDYDZSA-N
SMILESCOC(=O)[C@@]1(C[C@H]([C@H]([C@@H](C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: lysjz, Methylhydrogenation, orb1297019, methyl chlorogenate, 10 mM in DMSO, Methyl chlorogenateChlorogenic acid methyl ester
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 (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-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