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bin85666666

新虫 (小有名气)

[求助] 求助微谱数据查询

有化合物碳谱数据(DMSO测)如下,求相似结构。谢谢

30.3,43.7,56.2,56.6,67.2,99.7,104.4,104.8,112.0,113.1,113.5,120.4,127.8,134.2,136.4,159.4,162.9,164.3,164.8,181.6,186.0
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superspace

至尊木虫 (著名写手)

【答案】应助回帖

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感谢参与,应助指数 +1
bin85666666: 金币+20, ★★★★★最佳答案, 谢谢 2012-11-05 21:32:27
这是你的化合物的相似度在50%以上的匹配信息
查询结果:共查到12个化合物(查询结果仅供参考)

    1 .     aversin
    C20H16O7     相似度:76.1%
    Magnetic Resonance in Chemistry          2007          45          434-438
    1H and 13C NMR assignments for two anthraquinones and two xanthones from the mangrove fungus (ZSUH-36) (pages 434–438)
    Changlun Shao, Zhigang She, Zhiyong Guo, Hong Peng, Xiaoling Cai, Shining Zhou, Yucheng Gu and Yongcheng Lin
    Structure      13C NMR   碳谱模拟图

    2 .     6,8-dimethoxy-1-hydroxy-2-hydroxymethyl-3-methyl-9,10-anthraquinone
        相似度:66.6%
    Tetrahedron Letters          2005          46          2377-2380
    An efficient regioselective synthesis of endocrocin and structural related natural anthraquinones starting from emodin
    Mario Waser, Bernd Lackner, Joachim Zuschrader, Norbert Müller, Heinz Falk
    Structure      13C NMR   碳谱模拟图

    3 .     (E)-7-methoxy-3-(4'-methoxybenzylidene)chroman-4-one
    C18H16O4     相似度:52.3%
    Chemical & Pharmaceutical Bulletin          2006          54(8)          1193-1195
    Two New Homoisoflavonoids from Caesalpinia pulcherrima
    Muchchintala MAHESWARA, Vidavalur SIDDAIAH, and Chunduri VENKATA RAO
    Structure      13C NMR   碳谱模拟图

    4 .     1-hydroxy-6,8-dimethoxy-3-methyl-9,10-anthraquinone-2-carboxylicacid
        相似度:52.3%
    Tetrahedron Letters          2005          46          2377-2380
    An efficient regioselective synthesis of endocrocin and structural related natural anthraquinones starting from emodin
    Mario Waser, Bernd Lackner, Joachim Zuschrader, Norbert Müller, Heinz Falk
    Structure      13C NMR   碳谱模拟图

    5 .     versicolorin B
        相似度:52.3%
    Chinese Journal of Medicinal Chemistry          2007          17          148-154
    Anthraquinone derivatives produced by marine-derived Penicillium flavidorsum SHK1-27 and their antitumor activities
    REN Hong, GU Qian-qun, CUI Cheng-bin
    Structure      13C NMR   碳谱模拟图

    6 .     7,10,11-trimethoxy-2H-2-azatriphenylene-1-one
    C20H17NO4     相似度:52.3%
    Bioorganic & Medicinal Chemistry          2008          16          6233-6241
    Total synthesis of phenanthroindolizidine alkaloids (±)-antofine, (±)-deoxypergularinine, and their dehydro congeners and evaluation of their cytotoxic activity
    Chung-Ren Su, Amooru G. Damu, Po-Cheng Chiang, Kenneth F. Bastow, Susan L. Morris-Natschke, Kuo-Hsiung Lee, Tian-Shung Wu
    Structure      13C NMR   碳谱模拟图

    7 .     variecolorquinone A
    C20H18O9     相似度:52.3%
    The Journal of Antibiotics          2007          60          603-607
    Two New Cytotoxic Quinone Type Compounds from the Halotolerant Fungus Aspergillus variecolor FREE
    Wenliang Wang, Tianjiao Zhu, Hongwen Tao, Zhenyu Lu, Yuchun Fang, Qianqun Gu and Weiming Zhu
    Structure      13C NMR   碳谱模拟图

    8 .     versicolorin C
    C18H12O7     相似度:52.3%
    Chinese Journal of Organic Chemistry          2004          24          1114-1117
    Anthraquinone Derivatives Isolated from Marine Fungus # 2526 from the South China Sea
    ZHU, Feng LIN, Yong-Cheng ZHOU, Shi-Ning
    Structure      13C NMR   碳谱模拟图

    9 .     compound 7
    C25H24O12     相似度:52%
    Tetrahedron          2012          68          8480-8486
    New mycotoxins from the scale insect fungus Aschersonia coffeae Henn. BCC 28712
    Jittra Kornsakulkarn, Siriporn Saepua, Kitlada Srichomthong, Sumalee Supothina, Chawanee Thongpanchang
    Structure      13C NMR   碳谱模拟图

    10 .     salcolin A
        相似度:50%
    Biochemical Systematics and Ecology          2010          38          656-658
    Flavonolignans and other phenolic compounds from Sorghum halepense (L.) Pers.
    Hongjuan Huang, Yan Liu, Qinghui Meng, Shouhui Wei, Hailan Cui, Chaoxian Zhang
    Structure      13C NMR   碳谱模拟图

    11 .     1-(4-fluorophenyl)-8-[(2-morpholin-4-ylisonicotinoyl)-amino]-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide
    C28H27FN6O3     相似度:50%
    Bioorganic & Medicinal Chemistry          2010          18          403-414
    Aminopyridinecarboxamide-based inhibitors: Structure–activity relationship
    Dominique F. Bonafoux, Sheri L. Bonar, Michael Clare, Ann M. Donnelly, Jeanette L. Glaenzer, Julia A. Guzova, He Huang, Nandidni N. Kishore, Francis J. Koszyk, Patrick J. Lennon, Adam Libby, Sumathy Mathialagan, David S. Oburn, Sharon A Rouw, Cynthia D. S
    Structure      13C NMR   碳谱模拟图

    12 .     (3Z,6Z)-3-((5-tert-butyl-1H-imidazol-4-yl)methylene)-6-(3-(2,4-dimethoxybenzoyl)benzylidene)piperazine-2,5-dione
    C28H28N4O5     相似度:50%
    Bioorganic & Medicinal Chemistry          2012          20          4279-4289
    Synthesis and structure–activity relationships of benzophenone-bearing diketopiperazine-type anti-microtubule agents
    Yuri Yamazaki, Makiko Sumikura, Yurika Masuda, Yoshiki Hayashi, Hiroyuki Yasui, Yoshiaki Kiso, Takumi Chinen, Takeo Usui, Fumika Yakushiji, Barbara Potts, Saskia Neuteboom, Michael Palladino, George Kenneth Lloyd, Yoshio Hayashi
    Structure      13C NMR   碳谱模拟图
2楼2012-11-05 21:03:53
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