ERGOGALINE, A NEW ERGOT ALKALOID, PRODUCED BY CLAVICEPS-PURPUREA - ISOLATION, IDENTIFICATION, CRYSTAL-STRUCTURE AND MOLECULAR-CONFORMATION

A new peptide ergot alkaloid containing L-homoisoleucine has been isol ated from ergot sclerotia of the field-growing parasitic fungus Clavic eps purpurea. The molecular and crystal structures have been studied b y X-ray analysis [ergogaline monohydrate, monoclinic space group P2(1) with two molecules per unit cell of the dimensions a = 9.972(l), b = 10.902(l) and c = 14.761 (1) angstrom, beta = 94.05(1)-degrees] and co mpared with the structures in solution as determined by 2D NMR spectro scopy.