6(R)-9(R)-3-OXO-ALPHA-IONOL-BETA-D-GLUCOSIDE

Structure

2D structure of 6(R)-9(R)-3-OXO-ALPHA-IONOL-BETA-D-GLUCOSIDE
2D structure
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3D model

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

Names and identifiers

Name

6(R)-9(R)-3-OXO-ALPHA-IONOL-BETA-D-GLUCOSIDE

IUPAC name

3,5,5-trimethyl-4-((E)-3-(((2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)but-1-en-1-yl)cyclohex-2-en-1-one

SMILES

C1(C(C(=CC(C1)=O)C)C=CC(C)O[C@@H]2[C@H]([C@@H]([C@H]([C@H](CO)O2)O)O)O)(C)C

General information

Molecular formula

C19H30O7

Molecular weight

370.44 g/mol

Monoisotopic mass

370.1992 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Erigeron annuus (L.) Desf. aerial parts -
Iijima, T., Yaoita, Y., Kikuchi, M. (2003). Constituents of Erigeron annuus, Erigeron philadelphicus and Erigeron sumatrensis. Natural Med, 57(2), 75
Erigeron sumatrensis Retz. aerial parts -
Iijima, T., Yaoita, Y., Kikuchi, M. (2003). Constituents of Erigeron annuus, Erigeron philadelphicus and Erigeron sumatrensis. Natural Med, 57(2), 75