title: Structural discrimination from in situ measurement of1DCHand2DHHresidual dipolar coupling constants.
abstract: A fast residual dipolar coupling constant-assisted strategy involving the simultaneous determination of scalar and total coupling constants from a single1JCH/2JHH-resolved NMR spectrum is reported. It is shown that the concerted use of the directly measured1DCH(for all CHnmultiplicities) and2DHHresidual dipolar couplings allows an on-the-fly assignment of diastereotopic CH2protons, as well as of an efficient discrimination between diastereoisomeric structures of strychnine which contains six stereocenters. Copyright © 2017 John Wiley & Sons, Ltd.
authors.affiliation: Servei de Ressonància Magnètica Nuclear and Departament de Química, Facultat de Ciències, Universitat Autònoma de Barcelona, E-08193 Bellaterra (Barcelona), Catalonia, Spain.
authors.forename: Núria
authors.initials: N
authors.lastname: Marcó
authors.affiliation: Department of Chemistry, Carnegie Mellon University, 4400 Fifth Ave, Pittsburgh, PA, 15213, USA.
authors.forename: Roberto R
authors.identifier: http://orcid.org/0000-0002-8810-5047
authors.initials: RR
authors.lastname: Gil
authors.affiliation: Servei de Ressonància Magnètica Nuclear and Departament de Química, Facultat de Ciències, Universitat Autònoma de Barcelona, E-08193 Bellaterra (Barcelona), Catalonia, Spain.
authors.forename: Teodor
authors.identifier: http://orcid.org/0000-0002-1914-2709
authors.initials: T
authors.lastname: Parella
keywords: J-resolved HSQC; NMR; relative configuration; residual dipolar couplings; structural discrimination