Neochlorogenic acid methyl ester

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For Research Use Only.

Category

Other NPs

Cat.No.

NP4286

CAS

123410-65-1

Product Name

Neochlorogenic acid methyl ester

Structure

Product Details

Description

Neochlorogenic acid methyl ester, isolated from the flowers of Lonicera japonica, has weak anti-HBV activity, antioxidant activity and quinone reductase activity with a CD of 6.7 μM.

Synonyms

Methyl neochlorogenate; Cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxy-, methyl ester, (1R,3R,4S,5R)-; Cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, methyl ester, (1R,3R,4S,5R)-; Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, methyl ester, [1R-[1α,3α(E),4α,5β]]-; 5-O-Caffeoylquinic acid methyl ester; Methyl 3-caffeoylquinate

IUPAC Name

methyl (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate

Molecular Weight

368.34

Molecular Formula

C17H20O9

Canonical SMILES

COC(=O)C1(CC(C(C(C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O)O

InChI

InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15+,17-/m1/s1

InChIKey

MZNIJRAPCCELQX-NYCIAPANSA-N

Boiling Point

577.0±50.0 °C at 760 mmHg

Melting Point

112-114°C

Purity

97%

Density

1.53±0.1 g/cm3

Solubility

Soluble in DMSO, Ethanol, Methanol, Pyridine

Appearance

Powder

Storage

Store at -20°C

Form

Powder

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