11,13-DIHYDROTARAXIN-ACID-BETA-D-GLUCOPYRANOSYL-ESTER

Structure

2D structure of 11,13-DIHYDROTARAXIN-ACID-BETA-D-GLUCOPYRANOSYL-ESTER
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 132988933

Names and identifiers

Name

11,13-DIHYDROTARAXIN-ACID-BETA-D-GLUCOPYRANOSYL-ESTER

IUPAC name

(2R,3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl (3aS,6E,10E,11aS)-3,10-dimethyl-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-6-carboxylate

SMILES

CC1[C@@H]2CCC(=CCC\C(C)=C\[C@H]2OC1=O)C(=O)O[C@@H]1[C@@H](O)[C@H](O)O[C@H](CO)[C@H]1O

General information

Molecular formula

C21H30O9

Molecular weight

426.46 g/mol

Monoisotopic mass

426.1890 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Taraxacum F.H.Wigg. sect. Taraxacum - -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Taraxacum F.H.Wigg. sect. Taraxacum root -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.