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Monatshefte für Chemie - Chemical Monthly

, Volume 110, Issue 4, pp 1025–1027 | Cite as

Konformationsanalyse von Gallenfarbstoffen mit Hilfe von Kraftfeldrechnungen

Vorläufige Mitteilung
  • Heinz Falk
  • Günther Höllbacher
  • Otmar Hofer
Organische Chemie und Biochemie

Conformational analysis of bile pigments using force field calculations

Abstract

A force field constructed for bile pigments and parametrized on partial structures of bile pigments was used to calculate the minimum energy geometries of diastereomeric bilatrienes-abc. In addition the relative energies of these isomers were deduced and the energies of interconversion between the mirror images of the more or less helical (Z,Z,Z)-syn, syn, syn-form were calculated for various paths.

Keywords

Bile pigments Conformational analysis Force field calculations 

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Literatur

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Copyright information

© Springer-Verlag 1979

Authors and Affiliations

  • Heinz Falk
    • 1
  • Günther Höllbacher
    • 1
  • Otmar Hofer
    • 1
  1. 1.Institut für Organische ChemieUniversität WienWienGermany

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