Structural discrimination from in situ measurement of 1DCH and 2DHH residual dipolar coupling constants |
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| Authors: | Núria Marcó Roberto R. Gil Teodor Parella |
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| Affiliation: | 1. Servei de Ressonància Magnètica Nuclear and Departament de Química, Facultat de Ciències, Universitat Autònoma de Barcelona, Catalonia, Spain;2. Department of Chemistry, Carnegie Mellon University, Pittsburgh, PA, USA |
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| Abstract: | A fast residual dipolar coupling constant‐assisted strategy involving the simultaneous determination of scalar and total coupling constants from a single 1JCH/2JHH‐resolved NMR spectrum is reported. It is shown that the concerted use of the directly measured 1DCH (for all CHn multiplicities) and 2DHH residual dipolar couplings allows an on‐the‐fly assignment of diastereotopic CH2 protons, as well as of an efficient discrimination between diastereoisomeric structures of strychnine which contains six stereocenters. Copyright © 2017 John Wiley & Sons, Ltd. |
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| Keywords: | residual dipolar couplings NMR relative configuration J‐resolved HSQC structural discrimination |
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