BETA-ERGOPTINE
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 13274440
Name
BETA-ERGOPTINE
Also reported as
ERGOPTINE
IUPAC name
(6aR,9R)-N-((2R,5R,10aS,10bS)-2-ethyl-10b-hydroxy-5-isobutyl-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
SMILES
CCC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC(C)C)NC(=O)C4CN(C5CC6=CNC7=CC=CC(=C67)C5=C4)C
Molecular formula
C31H39N5O5
Molecular weight
561.68 g/mol
Monoisotopic mass
561.2951 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Lolium arundinaceum (Schreb.) Darbysh. subsp. arundinaceum | aerial parts | - |
Yates, S.G., Plattner, R.D., Garner, G.B. (1985). Detection of ergopeptine alkaloids in endophyte infected, toxic ky-31 tall fescue by mass spectrometry/mass spectrometry. J Agr Food Chem, 33(4), 719-722 doi:10.1021/jf00064a038
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