Tonga Lembe Jordan, Mphahlele Precious Mokgadi, Kamdem Kengne Michael Hermann, Jiyane Pangaman, Djuidje Fotsing Marthe Carine, Ardene Charmaine, Mmutlane Edwin Mpho, Ndinteh Derek Tantoh
Drug Discovery and Smart Molecules Research Laboratory, Department of Chemical, Sciences, University of Johannesburg, PO Box 17011, Doornfontein, Johannesburg 2028, South Africa.
Centre for Natural Product Research (CNPR), Department of Chemical Sciences, University of Johannesburg, Doornfontein, Johannesburg 2028, South Africa.
Acta Crystallogr E Crystallogr Commun. 2024 Jul 19;80(Pt 8):878-881. doi: 10.1107/S2056989024005000. eCollection 2024 Aug 1.
This title compound, CHO, was isolated from the benzene fraction of the stem bark of Warb. (Myristicaceae) using column chromatography techniques over silica gel. The compound was fully characterized by single-crystal X-ray diffraction, one and two-dimensional NMR spectroscopy, IR and MS spectrometry. The compound has two fused cyclo-hexane rings attached to a benzene ring, with a carb-oxy-lic acid on C-4. This cyclo-hexene ring has a chair conformation while the other adopts a half-chair conformation. The benzene ring is substituted with a propenyl moiety. The structure is characterized by inter-molecular O-H⋯O hydrogen bonds, two C-H⋯O intra-molecular hydrogen bonds and two C-H⋯π inter-actions. The mol-ecular structure confirms previous studies carried out by spectroscopic techniques.
该标题化合物CHO是从Warb.（肉豆蔻科）茎皮的苯馏分中通过硅胶柱色谱技术分离得到的。该化合物通过单晶X射线衍射、一维和二维核磁共振光谱、红外光谱和质谱进行了全面表征。该化合物有两个稠合的环己烷环连接到一个苯环上，在C-4位有一个羧酸。这个环己烯环具有椅式构象，而另一个采用半椅式构象。苯环被一个丙烯基部分取代。该结构的特征在于分子间O-H⋯O氢键、两个C-H⋯O分子内氢键和两个C-H⋯π相互作用。分子结构证实了先前通过光谱技术进行的研究。
