BETA-ISOVALERYL-ECHINATINE

Structure

2D structure of BETA-ISOVALERYL-ECHINATINE
2D structure
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3D model

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

Names and identifiers

Name

BETA-ISOVALERYL-ECHINATINE

IUPAC name

((1S,7aR)-1-hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl (2S,3S)-2-hydroxy-3-(isobutyryloxy)-2-isopropylbutanoate

SMILES

C(C(=O)O[C@@H](C)[C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)O)O)(C)C

General information

Molecular formula

C19H31NO6

Molecular weight

369.46 g/mol

Monoisotopic mass

369.2151 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