3,5-DICAFFEOYL-QUINIC-ACID-BUTYL-ESTER

Structure

2D structure of 3,5-DICAFFEOYL-QUINIC-ACID-BUTYL-ESTER
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 132549031

Names and identifiers

Name

3,5-DICAFFEOYL-QUINIC-ACID-BUTYL-ESTER

IUPAC name

(1R,3R)-5-(butoxycarbonyl)-2,5-dihydroxycyclohexane-1,3-diyl (2E,2'E)-bis(3-(3,4-dihydroxyphenyl)acrylate)

SMILES

C1C(C[C@H](C([C@@H]1OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)(O)C(=O)OCCCC

General information

Molecular formula

C29H32O12

Molecular weight

572.56 g/mol

Monoisotopic mass

572.1894 Da

Classification

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Lonicera japonica Thunb. flower 15 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.