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Determination of the Relative Configuration of Organic Compounds Using NMR and DG: A Systematic Approach for a Model System (1997)

Köck, Matthias ; Junker, Jochen

Springer

Journal of molecular modeling 3 (1997), S. 403-407

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ISSN: 0948-5023

Keywords: Keywords: NMR spectroscopy ; Distance geometry ; Floating chirality ; Configurational assignment

Source: Springer Online Journal Archives 1860-2000

Topics: Chemistry and Pharmacology

Notes: 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.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1007/s008940050057

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