Ethyl 3,5-di-O-caffeoylquinate

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For Research Use Only.

Category

Other NPs

Cat.No.

NP4322

CAS

143051-74-5

Product Name

Ethyl 3,5-di-O-caffeoylquinate

Structure

Product Details

Description

Ethyl 3,5-di-O-caffeoylquinate is a potent phytochemical agent originating from botanical sources, showcasing remarkable antioxidative and anti-inflammatory attributes.

Synonyms

SCHEMBL20118033; Ethyl 3,5-di-O-caffeoylquinate; AKOS040762980; 143051-74-5

IUPAC Name

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

Molecular Weight

544.51

Molecular Formula

C27H28O12

Canonical SMILES

CCOC(=O)C1(CC(C(C(C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O

InChI

InChI=1S/C27H28O12/c1-2-37-26(35)27(36)13-21(38-23(32)9-5-15-3-7-17(28)19(30)11-15)25(34)22(14-27)39-24(33)10-6-16-4-8-18(29)20(31)12-16/h3-12,21-22,25,28-31,34,36H,2,13-14H2,1H3/b9-5+,10-6+/t21-,22-,25?,27?/m1/s1

InChIKey

RVRNQEQEOJQOCP-MTGINRALSA-N

Boiling Point

759.1±60.0 °C at 760 mmHg

Purity

98.0%

Density

1.53±0.1 g/cm3

Form

Powder

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