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Determination of the Relative Configuration of Organic Compounds Using NMR and DG: A Systematic Approach for a Model System

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Abstract

The assignment of the configuration of natural products or organic compounds in general is often carried out by X-ray crystallography or chemical synthesis. NMR spectroscopy is often used only in a qualitative way in the context of configuration assignment. This paper will illuminate a systematic investigation of the combined use of NMR spectroscopy and distance geometry (DG) calculations for the determination of the relative configuration of an organic model compound. The NMR/DG approach allows to quantify configurational assignments.

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Authors and Affiliations

  1. Institut für Organische Chemie, Johann Wolfgang Goethe-Universität, Marie-Curie-Str. 11, 60439 Frankfurt, Germany; Phone: +49-69-798-29143; Fax: +49-69-798-29128; (km@org.chemie.uni-frankfurt.de), , , , , , DE

    Matthias Köck & Jochen Junker

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  1. Matthias Köck
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  2. Jochen Junker
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Received: 16 June 1997 / Accepted: 29 July 1997 / Published: 9 September 1997

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Köck, M., Junker, J. Determination of the Relative Configuration of Organic Compounds Using NMR and DG: A Systematic Approach for a Model System. J Mol Med 3, 403–407 (1997). https://doi.org/10.1007/s008940050057

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  • DOI: https://doi.org/10.1007/s008940050057

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