Bai Su-Ping, Luo Guo-Sheng, Zhang Xiao-Yi, Liu Wei
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 18;65(Pt 8):o1898. doi: 10.1107/S1600536809027159.
The title compound, 14β-acet-oxy-7α-hydr-oxy-ent-kaur-16-ene-3,15-dione or glaucocalyxin B, C(22)H(30)O(5), a natural ent-kaurane diterpenoid, is composed of four rings with the expected cis and trans ring junctions. In the crystal structure, there are two mol-ecules in the asymmetric unit related by a noncrystallographic twofold screw axis, and ring A is disordered [ratio occupancies 0.829 (19):0.171 (19)], such that both chair and boat conformations are present, but with the boat conformation as the major component. In the crystal, mol-ecules are linked by inter-molecular O-H⋯O hydrogen bonds.
标题化合物14β-乙酰氧基-7α-羟基-对映-贝壳杉-16-烯-3,15-二酮或蓝萼甲素,化学式为C(22)H(30)O(5),是一种天然的对映-贝壳杉烷二萜类化合物,由四个环组成,具有预期的顺式和反式环连接。在晶体结构中,不对称单元中有两个通过非晶体学二重螺旋轴相关的分子,环A无序[占有率比例为0.829 (19):0.171 (19)],因此椅式和船式构象均存在,但以船式构象为主。在晶体中,分子通过分子间的O-H⋯O氢键相连。