期刊
JOURNAL OF NATURAL PRODUCTS
卷 71, 期 12, 页码 1988-1992出版社
AMER CHEMICAL SOC
DOI: 10.1021/np8003547
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The new germacrane derivatives ketopelenolides C (2) and D (3) have been isolated from great mugwort (Artemisia arborescens). Their stereostructure elucidation exemplifies some of the, most common pitfalls facing the configurational assignment of medium-sized polyfunctionalized compounds. It was established through a combined strategy including chemical derivatization, NMR data analysis, molecular modeling, and quantum-mechanical calculations including a comparison between experimental C-13 NMR data and a Boltzmann-weighted average of DFT-calculated C-13 NMR chemical shifts.
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