圆二色性
化学
立体化学
绝对构型
二维核磁共振波谱
含时密度泛函理论
非对映体
内生菌
核磁共振
密度泛函理论
物理
计算化学
植物
生物
作者
Ferry Ferdiansyah Sofian,Taro Suzuki,Unang Supratman,Desi Harneti,Rani Maharani,Supriatno Salam,Fajar Fauzi Abdullah,Jun Yoshida,Yoshiaki Ito,Takuya Koseki,Yoshihito Shiono
标识
DOI:10.1080/14786419.2021.1998899
摘要
A novel 2,3-epoxy naphthoquinol, named (6R,7R,8R)-theissenone A (1), possessing an oxatricyclo[5.4.0.03,5]undeca-trien-2-one skeleton, together with two known compounds, (6S,7R,8R)-theissenone (2) and arthrinone (3), were produced by an endophytic fungus, Arthrinium marii M-211, which was isolated from mangrove plants. The structure of 1, including the absolute stereochemistry, was elucidated by analysis of nuclear magnetic resonance (NMR) and mass spectrometry (MS) data and time-dependent density functional theory (TDDFT) calculations of electronic circular dichroism (ECD) spectra. Additionally, the absolute structure of 2 was deduced as a diastereomer of 1 using ECD spectral data analysis. Compounds 1, 2 and 3 exhibited cytotoxic activity against the H4IIE rat hepatoma cells, with IC50 values of 67.5, 46.6 and 13.4 µM, respectively.
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