Products 425408-42-0

CAS 425408-42-0 appears in our catalog under these names: Ethyl chlorogenate, Ethyl chlorogenate, Ethyl chlorogenate, 96%. Offered by: GLPBio, MedChemExpress, Chemat. Available pack sizes: 5mg, 5 mg, 10 mg, 25 mg, 1mg.

Ethyl chlorogenate
GLPBio
  • size: 5mg
  • Variants: 1
from 1125.94
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Ethyl chlorogenate
MedChemExpress
  • size: 5 mg, 10 mg, 25 mg
  • Variants: 3
from 1081.31
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Ethyl chlorogenate, 96%
Chemat
  • size: 1mg, 5mg
  • Variants: 2
from 491.60
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Structural formula: {0} (CAS {1})

Ethyl (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate (CAS 425408-42-0) is a chemical compound with the molecular formula C18H22O9 and a molecular weight of 382.4 g/mol. IUPAC name: ethyl (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate. InChIKey: LEUHYTKFUDEERH-JKFBRHHXSA-N.

Identity
Molecular formulaC18H22O9
Molecular weight382.4 g/mol
IUPAC nameethyl (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate
InChIKeyLEUHYTKFUDEERH-JKFBRHHXSA-N
SMILESCCOC(=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: Ethyl chlorogenate, Ethyl chlorogenic acid, ethyl-3-O-caffeoylquinate, orb1680903, 3-O-caffeoylquinic acid ethyl ester
Isomers (same molecular formula)
methyl (1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylate C18H22O9
methyl (1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylate C18H22O9
5,7-dihydroxy-2-propan-2-yl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one C18H22O9
trans-methyl (3R,5R)-1,3,5-trihydroxy-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylate C18H22O9