Description
4,5-Di-O-caffeoylquinic acid methyl ester is a compound isolated from the flowerbud of Lonicera japonica Thunb.
IUPAC Name: methyl (1R,3R,4S,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylate
InChI: InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(31)24(38-23(33)9-5-15-3-7-17(28)19(30)11-15)21(13-26)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h2-11,20-21,24,27-31,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24+,26-/m1/s1
InChIKey: PKJBSZTYNDRXEQ-GMGOHGFSSA-N
SMILES: COC(=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
Synonyms: 188742-80-5; 4,5-Di-O-caffeoylquinic acid methyl ester; Methyl (1R,3R,4S,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylate; 4,5-O-Dicaffeoyl quinic acid methyl ester; 3,4-O-TRANS-CAFFEOYLQUINIC ACID METHYL ESTER; Methyl (1R,3R,4S,5R)-3,4-bis(((E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl)oxy)-1,5-dihydroxycyclohexane-1-carboxylate; CHEMBL516541; HY-N12305; …
Botanical Source: