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The crystal structures of two ergot alkaloids ergocristam ( I ) and ergocristine acetone solvate ( II ), have been determined by X-ray diffraction and compared with their conformation in solution obtained from NMR data. The presence of D-proline in  I  essentially influences the conformation of the alkaloid tripeptide moiety which seems likely to explain why  I  does not undergo further enzymatical hydroxylation and is found as a terminal step of ergot alkaloid biosynthesis.

Conformation of ergopeptam and ergopeptine alkaloids (ergocristam and ergocristine)