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 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