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zhanchuan新虫 (正式写手)
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| 13CNMR(DMSO):15.50,21.16,28.96,28.99,60.61,61.18,110.79,110.84,114.13,118.28,126.08,126.20,126.53,126.76,133.42,134.40,135.05,137.44,143.96,156.03,182.15 |
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【答案】应助回帖
★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
jiangchunyong: 金币+1, 谢谢 2013-10-28 15:43:36
zhanchuan: 金币+5 2013-10-28 20:35:00
感谢参与，应助指数 +1
jiangchunyong: 金币+1, 谢谢 2013-10-28 15:43:36
zhanchuan: 金币+5 2013-10-28 20:35:00
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1 . anthrasesamone F C20H18O5 相似度:57.1% Bioscience, Biotechnology, and Biochemistry 2008 72 1626-1627 Anthrasesamone F from the Seeds of Black Sesamum indicum Kwan Su KIM and Si Hyung PARK Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . (S)-and (R)-6,7-dihydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)isoindolin-1-one C18H17NO3 相似度:57.1% Bioorganic & Medicinal Chemistry 2009 17 5318-5324 Diketoacid-genre HIV-1 integrase inhibitors containing enantiomeric arylamide functionality Xue Zhi Zhao, Kasthuraiah Maddali, Christophe Marchand, Yves Pommier, Terrence R. Burke Jr. Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . 2-(2-Chloro-6-fluorophenyl)-7-(3-chlorophenyl)imidazo[4,5-c]quinolin-4(5H)-one C22H12Cl2FN3O 相似度:54.5% Bioorganic & Medicinal Chemistry 2013 23 2868-2878 7-Phenyl-imidazoquinolin-4(5H)-one derivatives as selective and orally available mPGES-1 inhibitors Tomoya, Shiro, Keisuke, Kakiguchi, Hirotada, Takahashi, Hidetaka, Nagata, Masanori, Tobe Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . 2-hydroxy-1-methoxy-3-methylanthraquinone 相似度:52.3% China Journal of Chinese Materia Medica 2007 32 590-593 Studies on constituents of Oldenlandia diffusa ZHOU Yingjun, WU Kongsong, ZENG Guangyao, TAN Jianbing, XU Kangping, LI Fushuang, TAN Guishan Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . 1-p-Toluenesulfonyl-1H-naphtho[2,3-g]indole-6,11-dione C23H15NO4S 相似度:52.3% Journal of Heterocyclic Chemistry 2009 46 1285-1295 Access to indoles via Diels-Alder reactions of 3-vinylpyrroles Wayland E. Noland and Nicholas P. Lanzatella Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . 2,6-Bis(4-cyanophenyl)-7-methyl-imidazo[1,2-a]pyridine C22H14N4 相似度:52.3% Bioorganic & Medicinal Chemistry 2008 16 683-691 Synthesis and antiprotozoal activity of novel bis-benzamidinoimidazo[1,2-a]pyridines and 5,6,7,8-tetrahydro-imidazo[1,2-a]pyridines Mohamed A. Ismail,Reem K. Arafa,Tanja Wenzler,Reto Brun,Farial A. Tanious,W. David Wilsona and David W. Boykin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . 1,2-Dimethoxy-3-hydroxyanthraquinone 相似度:52.3% Chinese Journal of Natural Medicines 2010 8 192-195 Chemical Constituents from the Roots of Morinda officinalis ZHANG Hai-Long; ZHANG Qing-Wen; ZHANG Xiao-Qi; YE Wen-Cai; WANG Yi-Tao Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . 9-(6-Methyl-2-[[4-methylphenylsulfonylaminocarbonylamino ]phenyl]-4H-1,2,4-benzothiadiazin-1,1-dioxide 相似度:52.3% Bioorganic & Medicinal Chemistry 1995 3 495-503 Synthesis and vasodilator effects of 3- and 7-sulfonylurea-1,2,4-benzothiadiazin-1,1-dioxides on rat aorta Smail Khelili, Gérard Leclerc, Gilles Faury, Jean Verdetti Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . N-(3-benzyl-2-methylthio-4-oxo-3,4-dihydro-quinazolin-6-yl)-cinnamamide C25H21N3O2S 相似度:52.3% Bioorganic & Medicinal Chemistry 2010 18 2849-2863 Non-classical antifolates. Part 2: Synthesis, biological evaluation, and molecular modeling study of some new 2, 6-substituted-quinazolin-4-ones Fatmah A.M. Al-Omary, Laila A. Abou-zeid, Mahmoud N. Nagi, El-Sayed E. Habib, Alaa A.-M. Abdel-Aziz, Adel S. El-Azab, Sami G. Abdel-Hamide, Mohamed A. Al-Omar, Abdulrahman M. Al-Obaid, Hussein I. El-Subbagh Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . didemnoline C C16H13BrN4OS 相似度:52.3% Tetrahedron 1995 51 10125-10130 Didemnolines A-D, new N9-substituted β-carbolines from the marine ascidian Didemnum sp. Robert W. Schumacher, Bradley S. Davidson Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . ethyl 1-ethyl-6-[(1Z)-3-hydroxy-1-propen-1-yl]-4-oxo-1,4-dihydro-3-quinolinecarboxylate C17H19NO4 相似度:52.3% Bioorganic & Medicinal Chemistry 2011 19 7281-7298 Synthesis of macrolones with central piperazine ring in the linker and its influence on antibacterial activity Samra Kapić, Hana Čipčić Paljetak, Ivana Palej Jakopović, Andrea Fajdetić, Marina Ilijaš, Vlado Štimac, Karmen Brajša, David J. Holmes, John Berge, Sulejman Alihodžić Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . 2-amino-6-{[(1-vinyl-4,5-dihydrobenzo[g]indol-2-yl)methylene]amino}hexanoic acid C21H25N3O2 相似度:52.3% European Journal of Organic Chemistry 2010 4554-4558 Chemo-, Regio- and Stereospecific Synthesis of Unnatural, Fluorescent Amino Acids by Condensation of L-Lysine and 1-Vinylpyrrole-2-carbaldehydes Andrey V. Ivanov, Igor A. Ushakov, Konstantin B. Petrushenko, Al'bina I. Mikhaleva and Boris A. Trofimov Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . compound 17 C48H48N10O6 相似度:52.3% European Journal of Organic Chemistry 2010 694-704 N-Phenyl-1,2,4-triazoline-3,5-dione (PTAD) as a Dienophilic Dinitrogen Equivalent: A Simple Synthesis of 3-Amino-1,2,4-benzotriazines from Arylcarbodiimides Mateo Alajarin, Baltasar Bonillo, Marta Marin-Luna, Pilar Sanchez-Andrada and Angel Vidal Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . (Z)-2-Methyl-N'-(2-oxoindolin-3-ylidene)-6-(4-tolyl)nicotinohydrazide 相似度:52.3% Archives of Pharmacal Research 2012 35 1543-1552 Design, synthesis and pharmacophoric model building of novel substituted nicotinic acid hydrazones with potential antiproliferative activity Hatem A. Abdel-Aziz, Tarek Aboul-Fadl, Abdul-Rahman M. Al-Obaid, Mohamed Ghazzali and Abdullah Al-Dhfyan, et al. Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . 2-(2-Chloro-6-fluorophenyl)-7-(2-methylphenyl)imidazo[4,5-c]quinolin-4(5H)-one C23H15ClFN3O 相似度:52.1% Bioorganic & Medicinal Chemistry 2013 23 2868-2878 7-Phenyl-imidazoquinolin-4(5H)-one derivatives as selective and orally available mPGES-1 inhibitors Tomoya, Shiro, Keisuke, Kakiguchi, Hirotada, Takahashi, Hidetaka, Nagata, Masanori, Tobe Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . compound 3k 相似度:50% Chemistry of Natural Compounds 2004 40 585-590 DIASTEREOTOPIC SYNTHESIS OF 1- AND 1,1-SUBSTITUTED 4-PHENYL-2,3,4,9-TETRAHYDRO-1H-b-CARBOLINES B. B. Semenov, K. A. Novikov, A. N. Spitsin,V. N. Azev, and V. V. Kachala Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . N,N'-[4,4'-(furan-2,5-diyl)bis(3-methyl-4,1-phenylene)]bis[1-(4-methylphenyl)-1H-indole-3-sulfonamide] C48H40N4O9S4 相似度:50% Chemical & Pharmaceutical Bulletin 2009 57 591-596 Novel Furanylarylene Arylsulfonylindolesulfonamides: Synthesis and Their Antibacterial Evaluation Chennan Ramalingan, In-Sook Lee and Young-Woo Kwak Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . 10'-amino-1,2-dihydro-5-nitro-2,7'-dioxospiro[3H-indole-3,8'(7H,8H)-phenaleno[1,2-b]pyran]-9'-carbonitrile C24H12N4O5 相似度:50% Journal of Heterocyclic Chemistry 2010 47 46-49 Clean synthesis of spiro[indole-3,8'-phenaleno[1,2-b]pyran]-9'-carbonitriles and spiro[indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitriles by one-pot, three-component reactions Ramin Ghahremanzadeh, Tayebeh Amanpour and Ayoob Bazgir Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . Compound 13 C22H18N2O6S 相似度:50% Bioorganic & Medicinal Chemistry Letters 2008 18 223-227 Combinatorial synthesis of anilinoanthraquinone derivatives and evaluation as non-nucleotide-derived P2Y2 receptor antagonists Stefanie Weyler, Younis Baqi, Petra Hillmann, Marko Kaulich, Andrea M. Hunder, Ingrid A. Müller, Christa E. Müller Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . 5-cyano-1-[3-(N-methylpyrrolidin-2R-ylmethyl)indol-5-yl]benzimidazol C22H21N5 相似度:50% Bioorganic & Medicinal Chemistry Letters 1995 5 2391-2396 5-cyano-1-[3-(N-methylpyrrolidin-2R-ylmethyl)indol-5-yl] benzimidazole (CP-161,242): A potent, centrally active 5-HT1D receptor agonist and benzodiazepine partial agonist John E. Macor, David H. Blank, Kishor Desai, Carol B. Fox, B. Kenneth Koe, Lorraine A. Lebel, Ronald J. Post, Anne W. Schmidt, David W. Schulz, Patricia A. Seymour Structure 13C NMR 碳谱模拟图 |
3楼2013-10-28 10:29:28
wangkaibo123
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kerry
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专家经验: +726 - PhEPI: 3
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【答案】应助回帖
★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
jiangchunyong: 金币+1, 谢谢 2013-10-28 15:43:25
zhanchuan: 金币+5, ★有帮助 2013-10-28 20:34:46
感谢参与，应助指数 +1
jiangchunyong: 金币+1, 谢谢 2013-10-28 15:43:25
zhanchuan: 金币+5, ★有帮助 2013-10-28 20:34:46
|
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 溶剂选项： 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65个化合物(查询结果仅供参考) 1 . anthrasesamone F C20H18O5 相似度:57.1% Bioscience, Biotechnology, and Biochemistry 2008 72 1626-1627 Anthrasesamone F from the Seeds of Black Sesamum indicum Kwan Su KIM and Si Hyung PARK Structure 13C NMR 碳谱模拟图 2 . 3-benzyl-2-cinnamylthio-6-methyl-quinazolin-4(3H)-one C25H22N2OS 相似度:57.1% Bioorganic & Medicinal Chemistry 2010 18 2849-2863 Non-classical antifolates. Part 2: Synthesis, biological evaluation, and molecular modeling study of some new 2, 6-substituted-quinazolin-4-ones Fatmah A.M. Al-Omary, Laila A. Abou-zeid, Mahmoud N. Nagi, El-Sayed E. Habib, Alaa A.-M. Abdel-Aziz, Adel S. El-Azab, Sami G. Abdel-Hamide, Mohamed A. Al-Omar, Abdulrahman M. Al-Obaid, Hussein I. El-Subbagh Structure 13C NMR 碳谱模拟图 3 . (S)-and (R)-6,7-dihydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)isoindolin-1-one C18H17NO3 相似度:57.1% Bioorganic & Medicinal Chemistry 2009 17 5318-5324 Diketoacid-genre HIV-1 integrase inhibitors containing enantiomeric arylamide functionality Xue Zhi Zhao, Kasthuraiah Maddali, Christophe Marchand, Yves Pommier, Terrence R. Burke Jr. Structure 13C NMR 碳谱模拟图 4 . 1,2-bis[(trifluoromethyl)sulfonyloxy]-4-(4-ethylphenyl)anthraquinone C24H14F6O8S2 相似度:54.5% European Journal of Organic Chemistry 2011 2075-2087 Site-Selective Arylation of Alizarin and Purpurin Based on Suzuki–Miyaura Cross-Coupling Reactions Ahmed Mahal, Alexander Villinger and Peter Langer Structure 13C NMR 碳谱模拟图 5 . 2-(2-Chloro-6-fluorophenyl)-7-(3-chlorophenyl)imidazo[4,5-c]quinolin-4(5H)-one C22H12Cl2FN3O 相似度:54.5% Bioorganic & Medicinal Chemistry 2013 23 2868-2878 7-Phenyl-imidazoquinolin-4(5H)-one derivatives as selective and orally available mPGES-1 inhibitors Tomoya, Shiro, Keisuke, Kakiguchi, Hirotada, Takahashi, Hidetaka, Nagata, Masanori, Tobe Structure 13C NMR 碳谱模拟图 6 . 2-[2-(1-benzenesulfonyl-1H-indol-3-yl)-5-tert-bu-toxycarbonylamino]-pent-2-enoic acid ethyl ester C28H32N2O7S 相似度:54.1% Tetrahedron 2006 62 10815-10820 Synthetic approaches towards an indole alkaloid isolated from the marine sponge Halichondria melanodocia Ann-Louise Johnson, Jan Bergman Structure 13C NMR 碳谱模拟图 7 . 1-(3,4-Dimethylphenyl)-3-phenyl-5-(4-ethoxyphenyl)-2-pyrazoline C25H26N2O 相似度:52.3% Molecules 2011 16 7789-7802 Synthesis, Characterization and Fluorescent Property Evaluation of 1, 3, 5-Triaryl-2-pyrazolines Aurangzeb Hasan, Asghar Abbas and Muhammed Nadeem Akhtar Structure 13C NMR 碳谱模拟图 8 . Ajudecumin D C21H24O4 相似度:52.3% Phytochemistry Letters 2012 5 271-275 Rearranged abietane diterpenoid hydroquinones from aerial parts of Ajuga decumbens Thunb Bo Wang, Xiao-Ning Wang, Tao Shen, Shu-Qi Wang, Dong-Xiao Guo, Hong-Xiang Lou Structure 13C NMR 碳谱模拟图 9 . 2-chloro-4-(2-phenylindolizin-3-yl)quinazoline C22H14ClN3 相似度:52.3% Journal of Heterocyclic Chemistry 2009 46 748-755 Friedel-Crafts heteroarylation of (hetero)arenes: A facile entry to 4-(hetero)aryl quinazolines and quinolines Shailesh Kumar and Devi Prasad Sahu Structure 13C NMR 碳谱模拟图 10 . 1-p-Toluenesulfonyl-1H-naphtho[2,3-g]indole-6,11-dione C23H15NO4S 相似度:52.3% Journal of Heterocyclic Chemistry 2009 46 1285-1295 Access to indoles via Diels-Alder reactions of 3-vinylpyrroles Wayland E. Noland and Nicholas P. Lanzatella Structure 13C NMR 碳谱模拟图 11 . 3,6-dihydro-2H-pyranyl-3,4-dimethoxy-10H-anthracene-9-one C20H18O4 相似度:52.3% Journal of Heterocyclic Chemistry 2007 44 29-34 Metathetic approach towards macrocyclic bis-ethers and in sequence use of barbier reaction and RCM for spirocyclic ethers Sulagna Brahma,Susama Maity and Jayanta K. Ray Structure 13C NMR 碳谱模拟图 12 . N-(4-fluorophenyl)-N-[1-(α-naphthyl)but-3-enyl]amine C20H18FN 相似度:52.3% Journal of Heterocyclic Chemistry 2004 41 995-999 Transformation of schiff bases derived from alpha-naphthaldehyde. Synthesis,spectral data and biological activity of new-3-aryl-2-(-naphtyl)-4-thiazolidinones and N-aryl-N-[1-(α-naphthyl)but-3-enyl]amines Vladimir Kouznetsov,William Rodríguez,Elena Stashenko,Carmen Ochoa,Celeste Vega,Miriam Rolón,David Montero Pereira,José A. Escario and Alicia Gémez Barrio Structure 13C NMR 碳谱模拟图 13 . N-[2-[4-hydroxy-1-(N-phthalimidoyl)butyl]phenyl]-p-toluenesufonamide C25H24N2O5S 相似度:52.3% Heterocycles 2005 66 481-502 Efficient Synthesis of Functionalized Benzazepine Derivatives Utilizing Intramolecular Mitsunobu Reaction Tadaaki Ohtani,* Yoshikazu Kawano, Kazuyoshi Kitano, Jun Matsubara, Makoto Komatsu, Minoru Uchida, Fujio Tabusa, and Yoshimitsu Nagao Structure 13C NMR 碳谱模拟图 14 . 2,6-Bis(4-cyanophenyl)-7-methyl-imidazo[1,2-a]pyridine C22H14N4 相似度:52.3% Bioorganic & Medicinal Chemistry 2008 16 683-691 Synthesis and antiprotozoal activity of novel bis-benzamidinoimidazo[1,2-a]pyridines and 5,6,7,8-tetrahydro-imidazo[1,2-a]pyridines Mohamed A. Ismail,Reem K. Arafa,Tanja Wenzler,Reto Brun,Farial A. Tanious,W. David Wilsona and David W. Boykin Structure 13C NMR 碳谱模拟图 15 . 1,2-Dimethoxy-3-hydroxyanthraquinone 相似度:52.3% Chinese Journal of Natural Medicines 2010 8 192-195 Chemical Constituents from the Roots of Morinda officinalis ZHANG Hai-Long; ZHANG Qing-Wen; ZHANG Xiao-Qi; YE Wen-Cai; WANG Yi-Tao Structure 13C NMR 碳谱模拟图 16 . 9-(6-Methyl-2-[[4-methylphenylsulfonylaminocarbonylamino ]phenyl]-4H-1,2,4-benzothiadiazin-1,1-dioxide 相似度:52.3% Bioorganic & Medicinal Chemistry 1995 3 495-503 Synthesis and vasodilator effects of 3- and 7-sulfonylurea-1,2,4-benzothiadiazin-1,1-dioxides on rat aorta Smail Khelili, Gérard Leclerc, Gilles Faury, Jean Verdetti Structure 13C NMR 碳谱模拟图 17 . 1-[Bis(4-hydroxyphenyl)methylidenyl]indan C22H18O2 相似度:52.3% Bioorganic & Medicinal Chemistry 2000 8 785-793 Triarylethylene bisphenols with a novel cycle are ligands for the estrogen receptor Sung-Hoon Kim, John A. Katzenellenbogen Structure 13C NMR 碳谱模拟图 |
2楼2013-10-28 10:25:59
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