Title

The structure of ergot alkaloid hydroxyergotamine

Document Type

Article

Publication Date

12-1-1996

Abstract

The structure of natural alkaloid hydroxyergotamine (P212121, a = 11.242(1) Å, b = 13.006(2) Å, c = 22.208(2) Å, Z = 4) has been solved by direct methods and refined anisotropically to the R value of 0.041. It has been established that the absolute stereochemistry classifies the alkaloid among the members of d-lysergic acid series. Ergolene moiety possesses the usual flap down conformation of the D ring. The piperazine ring F is in envelope form with the benzyl substituent in the eclipsed conformation. The L-proline ring has a predominant envelope form. The observed extended conformation of LSD-amide bond is stabilized by N3-NH3 ... O1 and O5-HO5 ... O1 intramolecular hydrogen bonds.

Publication Source (Journal or Book title)

Zeitschrift fur Kristallographie

First Page

39

Last Page

42

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