首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >(1S2R3R6R7S8R10S11S)-13-{4-(4-Chloro­phen­yl)piperazin-1-ylmeth­yl}-10-hy­droxy-49-dimethyl-3815-trioxatetra­cyclo­10.3.0.024.079penta­decan-14-one
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(1S2R3R6R7S8R10S11S)-13-{4-(4-Chloro­phen­yl)piperazin-1-ylmeth­yl}-10-hy­droxy-49-dimethyl-3815-trioxatetra­cyclo­10.3.0.024.079penta­decan-14-one

机译:(1S2R3R6R7S8R10S11S)-13-{4-(4-氯苯基)哌嗪-1-基甲基} -10-羟基-49-二甲基-3 815-三氧杂环己烷10.3.0.024.079 pentadecan-14-one

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摘要

The title compound, C25H33ClN2O5, was synthesized from 9α-hy­droxy­parthenolide (9α-hy­droxy-4,8-dimethyl-12-methyl­ene-3,14-dioxatricyclo­[9.3.0.02,4]tetra­dec-7-en-13-one), which was isolated from the chloro­form extract of the aerial parts of Anvillea radiata. The mol­ecule is built up from fused five- and ten-membered rings with two additional ep­oxy ring systems and a chloro­phenyl­piperazine group as a substituent. The ten-membered ring adopts an approximate chair–chair conformation, while the piperazine ring displays a chair conformation and the five-membered ring shows an envelope conformation with the C atom closest to the hy­droxy group forming the flap. The mol­ecular conformation is stabilized by an intra­molecular O—H⋯N hydrogen bond between the hy­droxy group and a piperazine N atom. The crystal structure is stabilized by weak C—H⋯O inter­actions.
机译:由9α-羟基单酚(9α-羟基-4,8-​​二甲基-12-亚甲基-3,14-二氧杂三环[9.3.0.0 2,4 ] tetradec-7)合成标题化合物C25H33ClN2O5 -en-13-one),它是从Anvillea radiata地上部分的氯仿提取物中分离得到的。该分子由稠合的五元和十元环与两个附加的环氧环系统和一个氯代苯基­哌嗪基团作为取代基组成。十元环具有近似的椅构构型,而哌嗪环具有椅构型,五元环具有包膜构型,其中C原子最接近形成襟翼的羟基。分子构象通过羟基和哌嗪N原子之间的分子内OH-HN氢键而稳定。晶体结构通过弱的CH = O相互作用而稳定。

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