TRANS-CAFFEOYLARBUTIN

Structure

2D structure of TRANS-CAFFEOYLARBUTIN
2D structure
Drag to rotate, scroll to zoom
3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 162987845

Names and identifiers

Name

TRANS-CAFFEOYLARBUTIN

IUPAC name

((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)tetrahydro-2H-pyran-2-yl)methyl (E)-3-(3,4-dihydroxyphenyl)acrylate

SMILES

C1=CC(=CC=C1O)O[C@@H]3[C@H]([C@@H]([C@H]([C@H](COC(C=CC2=CC=C(C(=C2)O)O)=O)O3)O)O)O

General information

Molecular formula

C21H22O10

Molecular weight

434.40 g/mol

Monoisotopic mass

434.1213 Da

Classification

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

Plants with the compound

Plant Plant part Amount Reference
Pyrus communis L. subsp. pyraster (L.) Ehrh. - -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.