OCT-2-ENOATE,(BETA-D-GLUCOPYRANOSYL)-8-HYDROXY-2-6-DIMETHYL

Structure

2D structure of OCT-2-ENOATE,(BETA-D-GLUCOPYRANOSYL)-8-HYDROXY-2-6-DIMETHYL
2D structure
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3D model

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

Names and identifiers

Name

OCT-2-ENOATE,(BETA-D-GLUCOPYRANOSYL)-8-HYDROXY-2-6-DIMETHYL

IUPAC name

(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (E)-8-hydroxy-2,6-dimethyloct-2-enoate

SMILES

C(\C(=C(\CCC(CCO)C)[H])C)(O[C@@H]1[C@H]([C@@H]([C@H]([C@H](CO)O1)O)O)O)=O

General information

Molecular formula

C16H28O8

Molecular weight

348.39 g/mol

Monoisotopic mass

348.1784 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Sambucus ebulus L. root -
Gross, G.A., Sticher, O., Anklin, C. (1987). New iridoid glycosides and a monoterpene glycoside from Sambucus ebulus L. (Caprifoliaceae). Helv Chim Acta, 70(1), 91-101