Ergogaline, a new ergot alkaloid, produced by Claviceps purpurea: isolation, identification, crystal structure and molecular conformation

J. Chem. Soc., Perkin Trans. 2
2004.0

Abstract

A new peptide ergot alkaloid containing L-homoisoleucine has been isolated from ergot sclerotia of the field-growing parasitic fungus Claviceps purpurea. The molecular and crystal structures have been studied by X-ray analysis [ergogaline monohydrate, monoclinic space group P21 with two molecules per unit cell of the dimensions a = 9.972(1), 6 = 10.902(1) and c = 14.761(1) Å, β = 94.05(1)°] and compared with the structures in solution as determined by 2D NMR spectroscopy.

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