4.4 Article

Calculation of circular dichroism spectra of michellamines A and C, based on a complete conformational analysis

Journal

TETRAHEDRON
Volume 59, Issue 8, Pages 1245-1253

Publisher

PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/S0040-4020(03)00032-2

Keywords

circular dichroism; quantum chemical CD calculations; conformational analysis; biaryls; naphthylisoquinoline alkaloids; michellamines

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The first quantum chemical calculation of the circular dichroism (CD) spectra of michellamines has been achieved, based on a complete quantum chemical conformational analysis. Michellamines are dimeric naphthylisoquinoline alkaloids and thus naturally occurring quateraryls, with a large molecular size and flexibility and equipped with stereogenic centers and axes. (C) 2003 Elsevier Science Ltd. All rights reserved.

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