9-ACETYL-NEOOLIVIL

Structure

2D structure of 9-ACETYL-NEOOLIVIL
2D structure
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3D model

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

Names and identifiers

Name

9-ACETYL-NEOOLIVIL

IUPAC name

4-((2R,3R,4S,5S)-5-(4-hydroxy-3-methoxyphenyl)-3,4-bis(hydroxymethyl)tetrahydrofuran-2-yl)-2-methoxyphenyl acetate

SMILES

[C@@H]1([C@H]([C@H]([C@H](O1)C2=CC(=C(C=C2)O)OC)CO)CO)C3=CC=C(C(=C3)OC)OC(C)=O

General information

Molecular formula

C22H26O8

Molecular weight

418.44 g/mol

Monoisotopic mass

418.1628 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Urtica dioica L. root 10 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.