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Structural elucidation and complete NMR spectral assignments of Monascus monacolin analogues
Magn Reson Chem. 2024 Apr 17. doi: 10.1002/mrc.5447. Online ahead of print.ABSTRACTThree new monacolin analogues, 3,6-dihydroxy-monacolin P (1), 6-methoxy monacolin S (2), and 6-methoxy dehydromonacolin S (3), were isolated from a fraction that strongly inhibited 3-hydroxy-3-methylglutaryl-CoA reductase from the ethyl acetate portion of red yeast rice ethanol extract. Their structures were determined through a combination of 1D and 2D NMR experiments, mass spectrometry analysis, and known literature reports.PMID:38632498 | DOI:10.1002/mrc.5447 (Source: Magnetic Resonance in Chemistry : MRC)
Source: Magnetic Resonance in Chemistry : MRC - April 17, 2024 Category: Chemistry Authors: Jiachen Liu Qingjiang Xu Xin Wang Xiaoya Shang Nan Wang Source Type: research

Deciphering molecular structures: NMR spectroscopy and quantum mechanical insights of halogenated 4H-Chromenediones
Magn Reson Chem. 2024 Mar 31. doi: 10.1002/mrc.5445. Online ahead of print.ABSTRACTSesquiterpene lactones (SL) represent a class of secondary metabolites found in the Asteraceae family, notable for their unique structures. The SL α-santonin (1) and its derivatives are worthy of mention due to their diverse biological properties. Additionally, 4H-chromenes and 4H-chromones are appealing frameworks holding the capability to be used as structural motifs for new drugs. Furthermore, unambiguous structural elucidation is crucial for developing novel compounds for diverse applications. In this context, it is common to find in th...
Source: Magnetic Resonance in Chemistry : MRC - April 1, 2024 Category: Chemistry Authors: Lucas M O S Martins Francielly Thais Souto Thomas R Hoye Elson S Alvarenga Source Type: research

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