CAJ | 학술논문

从多刺锦鸡儿 (豆科)中分离得到一个紫檀烷型化合物-(6aR,11aR)-3-羟基-4,9-二甲氧基紫檀烷,通过红外光谱、质谱、核磁共振氢谱、核磁共振碳谱、氢核-氢核相关谱、异核多量子相干谱和异核多键相干谱进行结构鉴定.其单晶经 X射线衍射测试表明,该化合物晶体属单斜晶系,空间群为P21,化学式为C17H16O5, Mr=300.30.晶胞参数为: a=6.4778(13), b= 12.631(3), c=8.8368(18)(A), β=95.80(3)o, V= 719.3(3)(A)3, Z=2, Dc=1.386 Mg/m3, F(000) =316, μ=0.102 mm-1 .结构由直接法解出,用全矩阵最小二乘法修正,最终偏离因子R=0.0332, wR=0.0862.该分子由一个苯并吡喃环和苯并呋喃环组成, X射线衍射测试表明其绝对构型为顺式紫檀烷型.
종다자금계인 (두과)중분리득도일개자단완형화합물-(6aR,11aR)-3-간기-4,9-이갑양기자단완,통과홍외광보、질보、핵자공진경보、핵자공진탄보、경핵-경핵상관보、이핵다양자상간보화이핵다건상간보진행결구감정.기단정경 X사선연사측시표명,해화합물정체속단사정계,공간군위P21,화학식위C17H16O5, Mr=300.30.정포삼수위: a=6.4778(13), b= 12.631(3), c=8.8368(18)(A), β=95.80(3)o, V= 719.3(3)(A)3, Z=2, Dc=1.386 Mg/m3, F(000) =316, μ=0.102 mm-1 .결구유직접법해출,용전구진최소이승법수정,최종편리인자R=0.0332, wR=0.0862.해분자유일개분병필남배화분병부남배조성, X사선연사측시표명기절대구형위순식자단완형.
(6aR,11aR)-4,9-dimethoxy-3-hydroxypterocarpan was isolated from the natural plant of Caragana spinifera Kom (Leguminosae). The structure was elucidated by infrared spectra(IR), mass spectrometry(MS), 1H-Nuclear magnetic resonance(1H-NMR),13C-Nuclear Magnetic Resonance(13C-NMR), 1H-1H correlation spectroscopy(1H-1H COSY), heteronuclear multiple quantum coherence(HMQC) and heteronuclear multiple bond coherence(HMBC). In addition, its crystal structure was determined by the single-crystal X-ray diffraction analysis. It crystalized in monoclinic, space group P21 with a=6.4778(13), b=12.631(3), c=8.8368(18)(A), β= 95.8(3)o, C17H16O5, Mr=300.30, V=719.3(3)(A)3, Z=2, Dc=1.386 Mg/m3, F(000)=316, μ=0.102 mm-1, the final R=0.0332 and wR=0.0862 for 1533 observed reflections (I>2σ(I)). The molecular backone of the compound includes a benzofuro and a benzopyran. The X-ray analysis shows that the absolute configuration of the compound is cis-pterocarpan.