首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >(7aR)-1-(2R5SE)-6-Hy­droxy-56-dimethyl­hept-3-en-2-yl-7a-methyl­hexa­hydro-1H-inden-4(2H)-one
【2h】

(7aR)-1-(2R5SE)-6-Hy­droxy-56-dimethyl­hept-3-en-2-yl-7a-methyl­hexa­hydro-1H-inden-4(2H)-one

机译:(7aR)-1-(2 R5 SS)-6-羟基-56-二甲基庚-3-烯-2-基 -7a-甲基六氢-1 H-茚满-4(2H)-1

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摘要

The chiral title compound, C19H32O2, contains a [4.3.0]-bicyclic moiety in which the shared C—C bond presents a trans configuration and a side chain in which the C=C double bond shows an E conformation. The conformations of five- and six-membered rings are envelope (with the bridgehead atom bearing the methyl substituent as the flap) and chair, respectively, with a dihedral angle of 4.08 (17)° between the idealized planes of the rings. In the crystal, the mol­ecules are self-assembled via classical O—H⋯O hydrogen bonds, forming chains along [112]; these chains are linked by weak non-classical C—H⋯O hydrogen bonds, giving a two-dimensional supra­molecular structure parallel to (010). The absolute configuration was established according to the configuration of the starting material.
机译:手性标题化合物C19H32O2包含其中共享的CC键呈现反式构型的[4.3.0]双环部分和其中C = C双键呈现E构象的侧链。五元环和六元环的构象分别是包膜(桥头原子带有甲基取代基的皮瓣)和椅子,其理想平面之间的二面角为4.08(17)°。在晶体中,分子通过经典的OH-H = O氢键自组装,沿着[112]形成链。这些链通过弱的非经典CHOH氢键连接,形成平行于(010)的二维超分子结构。根据起始材料的构型确定绝对构型。

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