EUPATORIOPICRIN-19-O-LINOLENOATE

Structure

2D structure of EUPATORIOPICRIN-19-O-LINOLENOATE
2D structure
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3D model

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

Names and identifiers

Name

EUPATORIOPICRIN-19-O-LINOLENOATE

IUPAC name

(E)-4-(((3aR,4R,6Z,10E,11aR)-6,10-dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl)oxy)-3-(hydroxymethyl)-4-oxobut-2-en-1-yl (9E,11E,13E)-hexadeca-9,11,13-trienoate

SMILES

CC1=C[C@@H]2[C@@H]([C@@H](CC(=CCC1)C)OC(=O)C(=CCOC(CCCCCCCC=CC=CC=CCC)=O)CO)C(=C)C(=O)O2

General information

Molecular formula

C36H50O7

Molecular weight

594.79 g/mol

Monoisotopic mass

594.3557 Da

Classification

Pathway:
Superclass:
Class:
-
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Eupatorium cannabinum L. subsp. cannabinum aerial parts -
Zdero, C., Bohlmann, F. (1987). Eupatoriopicrin 19-o-linolenoate and other constituents from Eupatorium cannabium. Planta Med, 53(2), 169-172 doi:10.1055/s-2006-962665