Exploring axial chirality and determining absolute configuration of a novel atropoisomeric bis-phenylpropene lignamide from Matternichia princeps using DFT calculations and spectroscopic methods.

Vol 2, 2023 - 163204
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Abstract

A novel bis-phenylpropene lignanamide was isolated from Metternichia princeps.
Its symmetrical structure and axial chirality were confirmed through NMR studies and DFT calculations.
Comparing experimental and QM calculated ECD data determined the absolute configuration of the natural product as (7’’S,7’’’S,8aS).

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Institutions
  • 1 Universidade Federal Fluminense / Instituto de Química / Departamento de Química Orgânica
  • 2 Universidade Federal da Paraíba
  • 3 Universidade Federal Fluminense / Instituto de Química
Track
  • Spectroscopy
Keywords
TD-DFT; ECD; Chirality; Natural products