Natural products dereplication by diffusion ordered NMR spectroscopy (DOSY).

ABSTRACT: Diffusion-ordered NMR spectroscopy (DOSY) can be used to analyze mixtures of compounds since resonances deriving from different compounds are distinguished by their diffusion coefficients (D). Previously, DOSY has mostly been used for organometallic and polymer analysis, we have now applied DOSY to investigate diffusion coefficients of structurally diverse organic compounds such as natural products (NP). The experimental Ds derived from 55 diverse NPs has allowed us to establish a power law relationship between D and molecular weight (MW) and therefore predict MW from experimental D. We have shown that D is also affected by factors such as hydrogen bonding, molar density and molecular shape of the compound and we have generated new models that incorporate

SUBMITTER: Kleks G 

PROVIDER: S-EPMC8372548 | biostudies-literature | 2021 Aug

REPOSITORIES: biostudies-literature