Ethyl chlorogenate

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For Research Use Only.

Category

Other NPs

Cat.No.

NP4259

CAS

425408-42-0

Product Name

Ethyl chlorogenate

Structure

Product Details

Description

Ethyl chlorogenate is a constituent of the leaf extracts of Pavetta crassipes K. Schum. The green fluorescence protein reporter microplate assay and the
broth microdilution assay showed that ethyl chlorogenate exhibited antimycobacterial activities against Mycobacterium tuberculosis H37Rv.

Synonyms

Chlorogenic acid ethyl ester

IUPAC Name

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

Molecular Weight

382.367

Molecular Formula

C18H22O9

Canonical SMILES

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

InChI

InChI=1S/C18H22O9/c1-2-26-17(24)18(25)8-13(21)16(23)14(9-18)27-15(22)6-4-10-3-5-11(19)12(20)7-10/h3-7,13-14,16,19-21,23,25H,2,8-9H2,1H3/b6-4+/t13-,14-,16-,18+/m1/s1

InChIKey

LEUHYTKFUDEERH-JKFBRHHXSA-N

Purity

96.0%

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