Ethyl 3,4-Dicaffeoylquinate

CAS	143051-73-4
IUPAC Name	Ethyl (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylate
Molecular Weight	544.5
Molecular Formula	C27H28O12
Canonical SMILES	CCOC(=O)[C@@]1(C[C@H]([C@H]([C@@H](C1)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O
InChI	InChI=1S/C27H28O12/c1-2-37-26(35)27(36)13-21(32)25(39-24(34)10-6-16-4-8-18(29)20(31)12-16)22(14-27)38-23(33)9-5-15-3-7-17(28)19(30)11-15/h3-12,21-22,25,28-32,36H,2,13-14H2,1H3/b9-5+,10-6+/t21-,22-,25-,27+/m1/s1
InChI Key	RGAMPVVUXFUXES-FYOODVSHSA-N
Purity	98%
Appearance	Solid