State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chong Zhi Road, Zhangjiang Hi-Tech Park, Shanghai 201203, China.
University of Chinese Academy of Sciences, No. 19A Yuquan Road, Beijing 100049, China.
Mar Drugs. 2022 Apr 18;20(4):272. doi: 10.3390/md20040272.
Chemical investigation of the Hainan soft coral resulted in the isolation and identification of a library of sixteen structurally diverse terpenoids, including a dinorditerpenoid with an uncommon 17,19-dinorxeniaphyllane skeleton, namely sinuhirtone A (), six new xeniaphyllane-type diterpenoids (-), one new norxeniaphyllanoid (), two new norcaryophyllene-type sesquiterpenoids ( and ), together with six known related compounds (-). Compounds - are three new furanone-containing xeniaphyllane-type diterpenoids. The structures of the new compounds, including their absolute configurations, were determined by extensive spectroscopic analysis and a series of quantum chemical calculations, including quantum mechanical-nuclear magnetic resonance (QM-NMR), time-dependent density functional theory-electronic circular dichroism (TDDFT-ECD), and optical rotatory dispersion (ORD) methods. A plausible biosynthetic connection between new compounds - was also proposed. New compounds -, , and were evaluated for in vitro cytotoxicity against four cancer cell lines.
从海南软珊瑚中得到的化学研究结果表明，分离并鉴定了十六种结构多样的萜类化合物，包括一个具有不常见的 17,19-二降 xen-iaphyllane 骨架的二降二萜，即 sinuhirtone A (1)，六个新的 xen-iaphyllane 型二萜 (-)，一个新的 norxeniaphyllanoid (2)，两个新的 norcaryophyllene 型倍半萜 (-)，以及六个已知的相关化合物 (-)。化合物 - 是三种含有呋喃酮的 xen-iaphyllane 型二萜。新化合物的结构，包括它们的绝对构型，通过广泛的光谱分析和一系列量子化学计算来确定，包括量子力学-核磁共振 (QM-NMR)、时间相关密度泛函理论-电子圆二色性 (TDDFT-ECD) 和旋光色散 (ORD) 方法。还提出了新化合物 - 之间可能的生物合成联系。对新化合物 - 、 - 、- 进行了体外细胞毒性评估，测试了它们对四种癌细胞系的抑制作用。
