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• W2783254255 abstract "A computer-assisted structural elucidation (CASE-3D) strategy based on the use of isotropic and/or anisotropic NMR data is proposed to elucidate relative configuration and preferred conformation in complex natural products. The methodology involves the selection of conformational models through the use of the Akaike Information Criterion and scoring of the different configurations. As illustrative examples, the methodology furnished the correct configuration of the already known compounds artemisinin (1) and homodimericin A (2). Revised structures (5 and 6), including their absolute configuration, for the recently reported curcusones I (3) and J (4) are proposed." @default.
• W2783254255 created "2018-01-26" @default.
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• W2783254255 date "2018-01-11" @default.
• W2783254255 modified "2023-10-17" @default.
• W2783254255 title "Computer-Assisted 3D Structure Elucidation (CASE-3D) of Natural Products Combining Isotropic and Anisotropic NMR Parameters" @default.
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• W2783254255 doi "https://doi.org/10.1021/acs.jnatprod.7b00926" @default.
• W2783254255 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/29323895" @default.
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