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| 27.68,49.01,57.05,57.13,62.24,69.24,115.08,118.00,118.29,119.24,126.84,132.01,135.96,136.98,137.15,138.07,150.69,150.97,158.03,158.24 |
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【答案】应助回帖
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感谢参与，应助指数 +1
ilovepp: 金币+5, ★★★★★最佳答案, 谢谢 2012-07-10 11:05:16
感谢参与，应助指数 +1
ilovepp: 金币+5, ★★★★★最佳答案, 谢谢 2012-07-10 11:05:16
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查询模式：模糊查询 碳谱数据输入： 按从小到大顺序输入，数字间用英文半角逗号(,)分隔例如： 21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2 27.68,49.01,57.05,57.13,62.24,69.24,115.08,118.00,118.29,119.24,126.84,132.01,135.96,136.98,137.15,138.07,150.69,150.97,158.03,158.24 溶剂选项： 全部 CDCl3 CD3CD2OD CD2Cl2 C5D5N C3D7NO CD3SOCD3 C4D8O (CH3)4Si C4D8O2 CD3COOD C4D8O2 H2O D2O CF3COOD CD3OD ND3 CD3COCD3 C6D6 CD3CN 查询空值 匹配容差： (数字格式，可自行设定) 相似度： %(相似度>=50%) 查询结果：共查到23个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . taspine C20H19NO6 相似度:60% Chemical & Pharmaceutical Bulletin 1991 39 1041-1042 A Cytotoxic Substance from Sangre de Grado Hideji ITOKAWA,Yoshitatsu ICHIHARA,Miwako MOCHIZUKI,Tamami ENOMORI,Hiroshi MORITA,Osamu SHIROTA,Mutsumi INAMATSU and Koichi TAKEYA Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . 淫羊藿碱A C20H20O6N 相似度:55% Chemical Journal of Chinese Universities 2003 24 2215-2217 Isolation and Structure Identif ication of the Novel Alkaloid Constituent from Ep imed ium Koreanum Naki LIU Chun-Ming, LIU Zhi-Qiang, DOU Jian-Peng, LI Li, LIU Shu-Ying Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . 5,6-Dimethoxy-1-(3,4-dimethoxybenzyl)isoquinoline hydrochloride 相似度:55% Bioorganic & Medicinal Chemistry 1996 4 781-791 Coralyne and related compounds as mammalian topoisomerase I and topoisomerase II poisons Darshan Makhey, Barbara Gatto, Chiang Yu, Angela Liu, Leroy F. Liu, Edmond J. LaVoie Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . (Z)-3-[3-Ethoxy-1-(3,4,5-trimethoxyphenyl)prop-1-en-1-yl]-4-(methoxymethoxy)benzonitrile C23H27NO6 相似度:55% European Journal of Organic Chemistry 2012 1603-1615 A One-Pot Three-Step Synthesis of Z-Trisubstituted Olefins from Arylalkynes and Their Cyclization into 4-Aryl-2H-chromenes Evelia Rasolofonjatovo, Bret Tréguier, Olivier Provot, Abdallah Hamze, Jean-Daniel Brion and Mouâd Alami Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . 2-methyl-3-[(thiomorpholin-4-yl)-methyl]-5-[2-(methoxy)phenyl]-1-[4-(fluoro)phenyl]-1H-pyrrole C23H24FNOS 相似度:55% Bioorganic & Medicinal Chemistry 2010 18 8076-8084 Identification of a novel pyrrole derivative endowed with antimycobacterial activity and protection index comparable to that of the current antitubercular drugs streptomycin and rifampin Mariangela Biava, Giulio Cesare Porretta, Giovanna Poce, Claudio Battilocchio, Salvatore Alfonso, Alessandro De Logu, Nadia Serra, Fabrizio Manetti, Maurizio Botta Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . 2-methyl-3-[(thiomorpholin-4-yl)-methyl]-5-[4-(fluoro)phenyl]-1-[2-(methoxy)phenyl]-1H-pyrrole C23H24FNOS 相似度:55% Bioorganic & Medicinal Chemistry 2010 18 8076-8084 Identification of a novel pyrrole derivative endowed with antimycobacterial activity and protection index comparable to that of the current antitubercular drugs streptomycin and rifampin Mariangela Biava, Giulio Cesare Porretta, Giovanna Poce, Claudio Battilocchio, Salvatore Alfonso, Alessandro De Logu, Nadia Serra, Fabrizio Manetti, Maurizio Botta Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . tert-Butyl 3-[2-(3-Methyl-1,2-5,6-tetrahydropyridin-1-yl)ethyl]indole-1-carboxylate C21H28N2O2 相似度:55% European Journal of Organic Chemistry 2012 1147-1157 Synthesis of the Indolic Pentacyclic Core of Manadomanzamine A Following Biogenetically Based Strategies Lok-Hang Yan, Philippe Nuhant, Isabelle Sinigaglia, Yann Fromentin, Christian Marazano, Bernard Delpech and Erwan Poupon Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . 5,6,2',3',6'-pentamethoxyflavone 相似度:50% Phytochemistry 2005 66 649-652 A furanocoumarin and polymethoxylated flavonoids from the Yucatec Mayan plant Casimiroa tetrameria Bilkis Heneka, Horst Rimpler, Anita Ankli, Otto Sticher, Simon Gibbons,Michael Heinrich Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . narcotohline 相似度:50% Planta Medica 1993 59 477-478 5' -O-Demethylnarcotine:A New Alkaloid from Papa ver somniferum János Répdsi , Sándor Hosztafi, and Zoltán Szabó Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . isoimerubrine 相似度:50% Chemical & Pharmaceutical Bulletin 1993 41 1418-1422 Structures and Solid State Tautomeric Forms of Two Novel Antileukemic Tropoloisoquinoline Alkaloids, Pareirubrines A and B, from Cissampelos pareira Hiroshi MORITA,Kouji MATSUMOTO,Koichi TAKEYA,Hideji ITOKAWA and Yoichi IITAKA Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . columbamine 相似度:50% Biochemical Systematics and Ecology 1991 19 433-437 Constituants chimiques de trois especes de Burasaia (Menispermacees) endemiques de Madagascar Ph. Rasoanaivo, S. Ratsimamanga-Urverg, A. Rakoto-Ratsimamanga, A. Raharisololalao Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . 2',4',5'-trimethoxy-2",2"-dimethylpyrano[5",6": 6,7]isoflavone C23H22O6 相似度:50% Phytochemistry 1998 48 557-579 Flavones and isoflavones from Millettia ichthyochtona Christine Kamperdick, Nguyen Minh Phuong, Tran Van Sung, Günter Adam Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . 1-(tert-Butoxycarbonyl)-6-(4-cyanophenyl)-2-(5-cyanopyridin-2-yl)-1H-indole C26H20N4O2 相似度:50% Bioorganic & Medicinal Chemistry 2011 19 2156-2167 Exploration of larger central ring linkers in furamidine analogues:Synthesis and evaluation of their DNA binding, antiparasitic and fluorescence properties Abdelbasset A. Farahat, Ekaterina Paliakov, Arvind Kumar, Alaa-Eldin M. Barghash ,Fatma E. Goda ,Hassan M. Eisa,Tanja Wenzler , Reto Brun , Yang Liu ,W. David Wilson , David W. Boykin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . 1-(tert-Butoxycarbonyl)-6-(4-cyanophenyl)-2-(6-cyanopyridin-3-yl)-1H-indole C26H20N4O2 相似度:50% Bioorganic & Medicinal Chemistry 2011 19 2156-2167 Exploration of larger central ring linkers in furamidine analogues:Synthesis and evaluation of their DNA binding, antiparasitic and fluorescence properties Abdelbasset A. Farahat, Ekaterina Paliakov, Arvind Kumar, Alaa-Eldin M. Barghash ,Fatma E. Goda ,Hassan M. Eisa,Tanja Wenzler , Reto Brun , Yang Liu ,W. David Wilson , David W. Boykin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . (5S)-(1H-Imidazol-1-ylmethyl)-1-[[3-(phenylmethoxy)phenyl]methyl]-2-pyrrolidinone C22H23N3O2 相似度:50% Bioorganic & Medicinal Chemistry 2011 19 2888-2902 Synthesis, in silico docking experiments of new 2-pyrrolidinone derivatives and study of their anti-inflammatory activity Panagiota Moutevelis-Minakakis , Eleni Papavassilopoulou,George Michas, Kalliopi Georgikopoulou,Maria-Eleni Ragoussi, Niki Neophytou ,Panagiotis Zoumpoulakis , Thomas Mavromoustakos ,Dimitra Hadjipavlou-Litina Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . 5",5"'-[(1,5-Pentanediol)bisoxy]bis[3-(2-hydroxybenzoyl)-5H-1-benzopyrano[2,3-b]pyridin-5-one] C43H30N2O10 相似度:50% Journal of Heterocyclic Chemistry 2006 43 1431-1434 Reactions of 2-amino-4h-1-benzopyran-4-one with 4-oxo-4h-1-benzopyran-3-carbaldehydes Tarun Ghosh and Chandrakanta Bandyopadhyay Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . compound 13 C19H16O5 相似度:50% Tetrahedron Letters 2004 45 2955-2959 Highly strained dihydroanthraquinones: oxidation versus elimination John D Reynolds, Robert G Brinson, Cynthia S Day, Paul B Jones Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . cis-3-(1',3'-butadientyl)-1-phenyl-4-(2''-phenylethenyl)azetidin-2-one C21H19NO 相似度:50% Heterocycles 2000 52 603-619 Diastereoselective Synthesis of α-Butadienyl-β-lactams and Some Stereochemical Aspects of Their Diels-Alder Adducts Arun K. Sharma, R. Senthil Kumar, and Mohinder P. Mahajan* Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . N,N'-(Z-allylidene-1,3-diyl)bis-Ns-benzylhistidine methylester C31H34N6O4 相似度:50% Bioorganic & Medicinal Chemistry 2010 18 2165-2172 A class of novel Schiff’s bases: Synthesis, therapeutic action for chronic pain, anti-inflammation and 3D QSAR analysis Yinjian Zhou, Ming Zhao, Yingting Wu, Chunyu Li, Jianhui Wu, Meiqing Zheng, Li Peng, Shiqi Peng Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . 2-methyl-3-[(thiomorpholin-4-yl)-methyl]-5-[4-(fluoro)phenyl]-1-[2-(methylthio)phenyl]-1H-pyrrole C23H25FN2S2 相似度:50% Bioorganic & Medicinal Chemistry 2010 18 8076-8084 Identification of a novel pyrrole derivative endowed with antimycobacterial activity and protection index comparable to that of the current antitubercular drugs streptomycin and rifampin Mariangela Biava, Giulio Cesare Porretta, Giovanna Poce, Claudio Battilocchio, Salvatore Alfonso, Alessandro De Logu, Nadia Serra, Fabrizio Manetti, Maurizio Botta Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 21 . compound 1g 相似度:50% Tetrahedron 1999 55 6691-6702 Agrostophyllol and isoagrostophyllol, two novel diastereomeric 9,10-dihydrophenanthropyran derivatives from the orchid Agrostophyllum callosum P.L. Majumder, S. Sen, S. Banerjee Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 22 . (±)-2-benzyl-(4a,9b)-cis-1,2,3,4,4a,9b-hexahydro-1H-pyrido[4,3-b]indole-8-yl acetonitrile ·2 HCl 相似度:50% Bioorganic & Medicinal Chemistry 2008 16 4908-4920 Carboxymethylated pyridoindole antioxidants as aldose reductase inhibitors: Synthesis, activity, partitioning, and molecular modeling Milan Stefek, Vladimir Snirc, Paul-Omer Djoubissie, Magdalena Majekova, Vassilis Demopoulos, Lucia Rackova, Zelmira Bezakova, Cimen Karasu, Vincenzo Carbone, Ossama El-Kabbani Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 23 . 5,6,2´,3´,6´-Pentamethoxyflavone C20H20O7 相似度:50% Natural Product Communications 2007 2 267-270 Rare Flavones from the Glandular Leaf Exudate of theOxlip, Primula elatior L. Jaromir Budzianowski and Eckhard Wollenweber Structure 13C NMR 碳谱模拟图 |
2楼2012-07-06 10:15:23
