Xu Shicheng, Ma Xinhua, Ke Ruifang, Deng Shihao, Yang Xinzhou, Song Ping
School of Pharmaceutical Sciences, South-Central University for Nationalities, Wuhan 430074, People's Republic of China.
College of Chemistry and Life Science, Qinghai University for Nationalities, Xining 810007, People's Republic of China.
Acta Crystallogr E Crystallogr Commun. 2017 Sep 5;73(Pt 10):1414-1416. doi: 10.1107/S2056989017011987. eCollection 2017 Oct 1.
The title compound, CHO [systematic name: (4b,8a,10)-3,10-dihy-droxy-2-isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a,9,10-octa-hydro-phenanthrene-1,4-dione], is an abietane-type diterpene, which was isolated from (B.). The compound crystallizes in the chiral space group 2, but it was not possible to determine the absolute structure of the mol-ecule in the crystal by resonant scattering. The mol-ecular structure is stabilized by two intra-molecular O-H⋯O hydrogen bonds, enclosing (5) and (6) ring motifs. In the crystal, mol-ecules are linked by O-H⋯O and C-H⋯O hydrogen bonds, forming chains along the [010] direction. The crystal structure of the 10 stereoisomer of the title compound, isolated from the roots of (Verbenaceae), has been reported. It crystallized in the chiral space group 222, and the absolute structure was determined as (4b,8a,10), by resonant scattering using Cu α radiation [Razak (2010 ▸). E, o1566-o1567].
标题化合物CHO [系统名称：(4b,8a,10)-3,10-二羟基-2-异丙基-4b,8,8-三甲基-4b,5,6,7,8,8a,9,10-八氢菲-1,4-二酮] 是一种枞酸型二萜，它是从（植物名称未给出）中分离得到的。该化合物在手性空间群2中结晶，但通过共振散射无法确定晶体中分子的绝对结构。分子结构通过两个分子内O-H⋯O氢键得以稳定，形成了(5)和(6)环模式。在晶体中，分子通过O-H⋯O和C-H⋯O氢键相连，沿[010]方向形成链状结构。已报道了从（马鞭草科植物名称未给出）根中分离得到的标题化合物的10种立体异构体的晶体结构。它在手性空间群222中结晶，并通过使用Cu α辐射的共振散射确定绝对结构为(4b,8a,10) [拉扎克（2010年）。E，o1566 - o1567] 。
