Gao Hong, Song Zhan-Qian, Shang Shi-Bin
Institute of Chemical Industry of Forest Products, Chinese Academy of Forestry, Nanjing 210042, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2010 Apr 28;66(Pt 5):o1207. doi: 10.1107/S1600536810012201.
THE TITLE COMPOUND [SYSTEMATIC NAME: (1R)-methyl 6-bromo-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octa-hydro-phen-anthrene-1-carboxyl-ate], C(21)H(29)BrO(2), was synthesized from N-bromo-succinimide and methyl dehydro-abietate, which was prepared through an esterification reaction using dehydro-abietic acid and methanol as raw materials. The three six-membered rings adopt planar (mean deviation = 0.002 Å) half-chair and chair conformations. The two cyclo-hexane rings form a trans ring junction with the two methyl groups in axial positions. The crystal structure is stabilized by weak inter-molecular C-H⋯O contacts along the b axis.
标题化合物[系统名称：(1R)-6-溴-7-异丙基-1,4a-二甲基-1,2,3,4,4a,9,10,10a-八氢菲-1-羧酸甲酯]，C(21)H(29)BrO(2)，由N-溴代琥珀酰亚胺和脱氢枞酸甲酯合成，脱氢枞酸甲酯是通过以脱氢枞酸和甲醇为原料的酯化反应制备的。三个六元环采用平面（平均偏差=0.002 Å）半椅式和椅式构象。两个环己烷环形成反式环连接，两个甲基处于轴向位置。晶体结构通过沿b轴的弱分子间C-H⋯O接触得以稳定。
