期刊
JOURNAL OF NATURAL PRODUCTS
卷 78, 期 7, 页码 1505-1510出版社
AMER CHEMICAL SOC
DOI: 10.1021/np500924n
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资金
- JSPS KAKENHI [26660093]
- Grants-in-Aid for Scientific Research [25440199, 26850076, 15H04491, 26660093, 26291084] Funding Source: KAKEN
The structures of epoxyroussoenone (1) and epoxyroussoedione (3) isolated from a culture broth of Roussoella japanensis KT1651 were determined. Although NMR spectra provided insufficient structural information, computation of the theoretical chemical shifts with DFT EDF2/6-31G* enabled us to elucidate not only the planar structure, but also the relative configuration. Their ECD (electric circular dichroism) spectra suggested the absolute configurations, which were confirmed with time-dependent DFT calculations employing BHandHLYP/TZVP. The ECD calculations for other stereoisomers yielded obviously different spectral profiles, thus confirming the relative structures of 1 and 3.
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