Razak Ibrahim Abdul, Salae Abdul Wahab, Chantrapromma Suchada, Karalai Chatchanok, Fun Hoong-Kun
Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 5;66(Pt 7):o1566-7. doi: 10.1107/S1600536810020544.
THE TITLE COMPOUND [SYSTEMATIC NAME: 7α,12-dihy-droxy-8,12-abietadiene,11,14-dione or (4bS,8aS,10R)-3,10-dihy-droxy-2-isopropyl-4b,8,8-trimethyl-1,4,4b,5,6,7,8,8a,9,10-deca-hydro-phenanthrene-1,4-dione], C(20)H(28)O(4), is an abietane diterpen-oid, which was isolated from the roots of Premna obtusifolia (Verbenaceae). Its crystal structure has been reported previously [Chen et al. (2000 ▶). Jiegou Huaxue, 19, 122-125], but the absolute configuration could not be determined using data collected with Mo radiation. This redetermination using Cu radiation shows the the absolute configurations of the stereogenic centres at positions 4b, 8a and 10 to be S, S and R, respectively. Two intra-molecular O-H⋯O hydrogen bonds [one generating an S(5) ring and one generating an S(6) ring] and a number of short C-H⋯O contacts occur. In the crystal, mol-ecules are linked into infinite chains propagating in [100] by O-H⋯O hydrogen bonds and weak C-H⋯O inter-actions.
标题化合物[系统名称：7α,12 - 二羟基 - 8,12 - 枞二烯 - 11,14 - 二酮或(4bS,8aS,10R) - 3,10 - 二羟基 - 2 - 异丙基 - 4b,8,8 - 三甲基 - 1,4,4b,5,6,7,8,8a,9,10 - 十氢菲 - 1,4 - 二酮]，C₂₀H₂₈O₄，是一种枞烷二萜类化合物，从钝叶臭黄荆（马鞭草科）的根中分离得到。其晶体结构先前已有报道[Chen等人(2000 ▶)。结构化学，19，122 - 125]，但使用钼辐射收集的数据无法确定其绝对构型。使用铜辐射重新测定表明，4b、8a和10位立体中心的绝对构型分别为S、S和R。存在两个分子内O - H⋯O氢键[一个形成S(5)环，一个形成S(6)环]以及一些短的C - H⋯O接触。在晶体中，分子通过O - H⋯O氢键和弱的C - H⋯O相互作用连接成沿[100]方向传播的无限链。
