TREMETONE-6-HYDROXY-3-BETA-ANGELOYL-OXY

Structure

2D structure of TREMETONE-6-HYDROXY-3-BETA-ANGELOYL-OXY
2D structure
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3D model

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

Names and identifiers

Name

TREMETONE-6-HYDROXY-3-BETA-ANGELOYL-OXY

IUPAC name

(2S)-5-acetyl-6-hydroxy-2-(prop-1-en-2-yl)-2,3-dihydrobenzofuran-3-yl (Z)-2-methylbut-2-enoate

SMILES

C1=C(C(=CC2=C1C([C@H](C(=C)C)O2)OC(\C(=C(/C)[H])C)=O)O)C(C)=O

General information

Molecular formula

C18H20O5

Molecular weight

316.35 g/mol

Monoisotopic mass

316.1311 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 root -
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