Sirat Hasnah Mohd, Feng Yau Sui, Awang Khalijah, Ng Seik Weng
Acta Crystallogr Sect E Struct Rep Online. 2010 Oct 30;66(Pt 11):o2945. doi: 10.1107/S1600536810042686.
The title compound, C(16)H(16)O(7), isolated from Kaempferia rotunda rhizomes, features a six-membered cyclo-hexane ring that adopts a twisted-boat conformation owing to the presence of two adjacent epoxide attachments that lock in four of the six axial positions. The CH(3)CO(2)- and HO- substituents occupy equatorial positions. However, the bond angles at the ring carbon connected to the C(6)H(5)CO(2)CH(2)- substituent deviate signifcantly from the idealized tetra-hedral angles as the carbon atom is part of an epoxide ring. In the crystal, the molecules are linked into chains by O-H⋯O hydrogen bonds.
从圆叶山姜根茎中分离得到的标题化合物C₁₆H₁₆O₇，其特征在于有一个六元环己烷环，由于存在两个相邻的环氧基连接，锁定了六个轴向位置中的四个，该环己烷环呈扭船构象。CH₃CO₂-和HO-取代基占据赤道位置。然而，与C₆H₅CO₂CH₂-取代基相连的环碳原子处的键角明显偏离理想的四面体角，因为该碳原子是环氧环的一部分。在晶体中，分子通过O-H⋯O氢键连接成链。
