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Calculation of circular dichroism spectra of michellamines A and C, based on a complete conformational analysis |
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| Authors: | Gerhard BringmannStefan Busemann |
| Institution: | Institut für Organische Chemie, Universität Würzburg, Am Hubland, D-97074 Würzburg, Germany |
| Abstract: | 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. |
| Keywords: | circular dichroism quantum chemical CD calculations conformational analysis biaryls naphthylisoquinoline alkaloids michellamines |
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