Full configurational and conformational analysis of artemisinin by one-bond carbon-carbon residual dipolar couplings at natural abundance

Magn Reson Chem. 2024 Apr 1. doi: 10.1002/mrc.5443. Online ahead of print.ABSTRACTConfigurational and conformational analysis of the biologically relevant natural product artemisinin was conducted using carbon-carbon residual dipolar couplings (1DCC RDCs) at natural abundance. These RDCs were measured through the 2D-INADEQUATE NMR experiment using a sample aligned in a compressed poly (methyl methacrylate) (PMMA) gel swollen in CDCl3. Singular value decomposition (SVD) fitting analysis of all carbon-carbon bonds, 1DCC RDCs, in relation to the full configuration/conformational space (32 diastereoisomers) of artemisinin, unambiguously identified the correct configuration of artemisinin.PMID:38558418 | DOI:10.1002/mrc.5443

Source: Magnetic Resonance in Chemistry : MRC - April 1, 2024 Category: Chemistry Authors: Clemens Anklin Roberto R Gil Source Type: research