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Neochlorogenic acid methyl ester

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Category Hepatitis B Virus (HBV)
CAS 123410-65-1
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.
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Product Information

Synonyms Neochlorogenic acid methyl ester;123410-65-1;CHEMBL596924;HY-N4168A;AKOS040762981;FS-8292;CS-0311073;
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 O=C([C@]1(O)C[C@@H](OC(/C=C/C2=CC=C(O)C(O)=C2)=O)[C@@H](O)[C@H](O)C1)OC
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 Please store the product under the recommended conditions in the Certificate of Analysis.

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