Structural discrimination from in situ measurement of <sup>1</sup>D<inf>CH</inf> and <sup>2</sup>D<inf>HH</inf> residual dipolar coupling constants

Núria Marcó, Roberto R. Gil, Teodor Parella

    Research output: Contribution to journalArticleResearchpeer-review

    10 Citations (Scopus)

    Abstract

    Copyright © 2017 John Wiley & Sons, Ltd. 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.
    Original languageEnglish
    Pages (from-to)540-545
    JournalMagnetic Resonance in Chemistry
    Volume55
    Issue number6
    DOIs
    Publication statusPublished - 1 Jun 2017

    Keywords

    • J-resolved HSQC
    • NMR
    • relative configuration
    • residual dipolar couplings
    • structural discrimination

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