BETA-ERGOCRYPTINE
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 161309
Name
BETA-ERGOCRYPTINE
IUPAC name
(6aR,9R)-N-((2R,5R,10aS,10bS)-5-((S)-sec-butyl)-10b-hydroxy-2-isopropyl-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
CC[C@H](C)[C@@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O
Molecular formula
C32H41N5O5
Molecular weight
575.71 g/mol
Monoisotopic mass
575.3108 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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