Crystal and Molecular Structure of Diterpenoid Alkaloid 3-Acetylaconitine

Crystal and Molecular Structure of Diterpenoid Alkaloid 3-Acetylaconitine
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二萜生物碱3-乙酰乌头碱的晶体和分子结构

DOI:
10.1007/s10870-008-9399-6
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发表时间:
2008-05
影响因子:
0.8
通讯作者:
Fan, Zhi-Chao
Fan, Zhi-Chao
中科院分区:
化学4区
文献类型:
--
作者:
Zhang, Zhi-Qi;Fan, Zhi-Chao

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摘要从黄芪根中分离得到3-乙酰乌头碱(1)C36H49NO12。szechenyianumGay。x射线衍射分析表明,它由4 - 6元环A、B、C、D和2 - 5元环E、f组成,熔合环体系A、B、C和D分别为椅子、椅子、椅子和船形构象;环E坐在半椅子上;戒指F在信封里确认。3-乙酰乌头碱晶体为空间群pp212121的正交晶系,晶格常数为:a= 9.2002(8) Å,b= 11.06454(9) Å, c= 33.072(3) Å,V= 3543.3(5) Å3,Z= 4。摘要从黄芪根中分离得到3-乙酰乌头碱C36H49NO12。通过x射线衍射分析确定了其晶体结构和分子结构。
Abstract3-Acetylaconitine (1), C36H49NO12, was isolated from the ammonium hydroxide wetted root ofA. szechenyianumGay. X-ray diffraction analysis demonstrated that it consists of four-six-membered rings A, B, C, D and two-five-membered rings E, F. The fused-ring system A, B, C and D are in chair, chair, chair and boat conformations, respectively; ring E is in a half-chair; and ring F is in an envelope confirmation. The crystal of 3-acetylaconitine is in orthorhombic crystal system with space groupP212121, lattice constants:a= 9.2002(8) Å,b= 11.06454(9) Å, andc= 33.072(3) Å,V= 3543.3(5) Å3,Z= 4.Index Abstract3-Acetylaconitine, C36H49NO12, was isolated from the ammonium hydroxide wetted root ofA. szechenyianumGay, and its crystal and molecular structure was determined by X-ray diffraction analysis.
DOI: 10.1107/s0108270189013648
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