Facultad de Ciencias Químicas, Instituto Multidisciplinario de Biología Vegetal (IMBIV-CONICET) , Universidad Nacional de Córdoba , Casilla de Correo 495 , 5000 Córdoba , Argentina.
BioLab, Instituto Universitario de Bio-Orgánica "Antonio González" (IUBO-AG), Centro de Investigaciones Biomédicas de Canarias (CIBICAN) , Universidad de La Laguna , C/Astrofísico Francisco Sánchez 2 , 38206 La Laguna , Spain.
J Nat Prod. 2018 Nov 26;81(11):2329-2337. doi: 10.1021/acs.jnatprod.8b00162. Epub 2018 Oct 25.
Nine new eremophilanolides, with seven known sesquiterpenoids, and 4-hydroxyacetophenone were isolated from the aerial parts of Senecio volckmannii var. volckmannii. The structures of these compounds were fully characterized using a combination of spectroscopic techniques including multinuclear and multidimensional NMR and mass spectrometry. The recently published Computer Assisted 3D Structure Elucidation (CASE-3D) protocol was applied in the configurational and conformational analysis of many of these eremophilanolides on the basis of Residual Dipolar Couplings (RDCs) and/or DFT predicted H/C chemical shifts.
从 Senecio volckmannii var. volckmannii 的地上部分分离得到了 9 种新的埃雷莫菲兰内酯，其中 7 种为已知的倍半萜，以及 4-羟基苯乙酮。这些化合物的结构通过包括多核和多维 NMR 和质谱在内的多种光谱技术进行了充分的表征。最近发布的计算机辅助 3D 结构解析（CASE-3D）方案基于残留偶极耦合（RDC）和/或 DFT 预测的 H/C 化学位移，应用于许多埃雷莫菲兰内酯的构型和构象分析。
