TRACHELANTHAMINE,BETA-ANGELYL

Structure

2D structure of TRACHELANTHAMINE,BETA-ANGELYL
2D structure
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3D model

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

Names and identifiers

Name

TRACHELANTHAMINE,BETA-ANGELYL

IUPAC name

(2R,3S)-3-((((1R,7aS)-hexahydro-1H-pyrrolizin-1-yl)methoxy)carbonyl)-3-hydroxy-4-methylpentan-2-yl (Z)-2-methylbut-2-enoate

SMILES

C[C@H]([C@@](C(C)C)(C(=O)OC[C@@H]1CCN2[C@H]1CCC2)O)OC(\C(=C(/C)[H])C)=O

General information

Molecular formula

C20H33NO5

Molecular weight

367.49 g/mol

Monoisotopic mass

367.2359 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 - -
Hendriks, H., Balraadjsing, W., Huizing, H.J., Bruins, A.P. (1987). Investigation into the presence of pyrrolizidine alkaloids in Eupatorium cannabinum by means of positive and negative ion chemical ionization gc-ms. Planta Med, 53(5), 456-461 doi:10.1055/s-2006-962772