Molecules, Volume 30, Issue 3
2025 February-1 - 326 articles
Cover Story: This study presents the complete 1H and 13C NMR assignments for borneol, isoborneol, and their protected derivatives in multiple solvents. The protection of the hydroxyl groups induced distinct downfield/upfield chemical shift changes in the protons and carbons on the bicyclic rings, enabling unambiguous structural assignments. The experimental chemical shifts showed strong correlations with those calculated by the density functional theory (DFT). The iso-chemical shielding surface (ICSS) analysis further quantified the anisotropic effects of the benzene rings introduced by the protecting groups in the hydroxyl positions, revealing substituent-dependent shielding patterns. The systematic approach combining experimental NMR, computational modeling, and ICSS visualization provides powerful tools for the structural elucidation of complex natural products. View this paper - Issues are regarded as officially published after their release is announced to the table of contents alert mailing list .
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