Abstract

A new polychiral bisabolane sesquiterpene, bisabolanoic acid A (1), was isolated from the mangrove-derived fungus Colletotrichum sp. SCSIO KcB3-2. Its planar structure was identified on the basis of spectroscopic data analysis (HRESIMS, 1D, and 2D NMR), and the absolute configurations of three chiral carbons were determined by experimental and calculated electronic circular dichroism (ECD) and optical rotatory dispersion (ORD), together with Mo₂(OAc)₄-induced ECD methods. Bisabolanoic acid A (1) showed moderate inhibitory activity against acetylcholinesterase (AChE) with IC₅₀ value of 2.2 μM, and the in silico molecular docking was also performed.

摘要

从红树林衍生的真菌Colletotrichum sp.中分离出一种新的多手性红没药烷倍半萜，红没药酸 A ( 1 )。SCSIO KcB3-2。在光谱数据分析（HRESIMS、1D 和 2D NMR）的基础上确定了其平面结构，并通过实验和计算的电子圆二色性（ECD）和旋光色散（ORD）确定了三个手性碳的绝对构型，以及 Mo ₂ (OAc) ₄诱导的 ECD 方法。红没药酸A ( 1 ) 对乙酰胆碱酯酶(AChE) 具有中等抑制活性，IC ₅₀值为2.2 μM，并且还进行了计算机分子对接。