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2005112062木虫 (正式写手)
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[求助]
大侠帮忙！！！求助微谱 谢谢 很急啊
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| 碳谱数据如下：13C NMR (101 MHz, MeOD) δ 156.00, 148.91, 145.74, 141.15, 135.42, 129.19, 128.24, 127.00, 125.56, 124.21, 120.31, 117.35, 112.30, 106.20, 59.84, 56.46 ,40.42. |
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kaola0916
铁杆木虫 (著名写手)
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【答案】应助回帖
感谢参与，应助指数 +1
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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 40.42,56.46,59.84,106.20,112.30,117.35,120.31,124.21,125.56,127.00,128.24,129.19,135.42,141.15,145.74,148.91,156.0 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1272个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . 3,7-dihydroxy-2,4- dimethoxyphenanthrene C16H14O5 相似度:94.1% Chemistry of Natural Compounds 2009 45 414-416 CHEMICAL CONSTITUENTS OF Dendrobium chrysotoxum Yu-Peng Li, Chen Qing, Tian-Tian Fang,Ying Liu,1 and Ye-Gao Chen1 Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . 2,8-dioxo-4-phenyl-2H,8H-pyrano[2,3-f]chromen-9-carbonitrile C19H9NO4 相似度:70.5% Chemistry of Natural Compounds 2008 44 16-23 SYNTHESIS OF PYRANO[2,3-f]CHROMEN-2,8-DIONES AND PYRANO[3,2-g]CHROMEN-2,8-DIONES BASED ON o-HYDROXYFORMYL(ACYL)NEOFLAVONOIDS V. S. Moskvina and V. P. Khilya Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . 4-methoxyphenanthrene-2,3,7-triol C15H12O4 相似度:70.5% Phytochemistry 1999 50 1237-1241 Phenanthrene and other aromatic constituents of Bulbophyllum vaginatum Yuan-Wah Leongα,Leslie J. Harrisonα, Andrew D. Powell Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . 7-hydroxy-2,3,4,8-tetramethoxyphenanthrene C18H18O5 相似度:66.6% Phytochemistry 2007 68 687-691 Phenanthrenes and a dihydrophenanthrene from Tamus communis and their cytotoxic activity Adriána Kovács, Peter Forgo, István Zupkóc, Borbála Réthy, György Falkay,Pál Szabó, Judit Hohmann Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . 6a,7-dehydro-1,2-dimethoxy-7-hydroxyaporphine 相似度:66.6% Fitoterapia 1999 70 157-160 Aporphine alkaloids from Enantia chlorantha Pascal Wafo, Barthelemy Nyasse, Catherine Fontaine,Beibam L. Sondengam Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . urabaine 相似度:66.6% Phytochemistry 1995 38 1037-1048 Aporphinoid alkaloids and terpenoids from Piptostigma fugax Hans Achenbach, Andreas Schwinn Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . 7,8-dimethoxyflavone 相似度:64.7% Chemical & Pharmaceutical Bulletin 1980 28 708-716 13C-Nuclear Magnetic Resonance (NMR) Spectral Studies on Polysubstituted Flavonoids. I. 13C-NMR Spectra of Flavones MUNEKAZU IINUMA,SHIN MATSUURA and KOUSUKE KUSUDA Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . 4-methoxy-8-trifluoromethyldibenzo[b,d]furan-1-carboxylic acid C15H9F3O4 相似度:64.7% Journal of Heterocyclic Chemistry 2008 45 797-801 Synthesis of multi-substituted dibenzo[b,d]furan Jitendra M. Gajera,Balasubramanian Gopalan,Pravin S. Yadav,Sandip D. Patil and Laxmikant A. Gharat Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . 2-(4-(4-(dimethylamino)phenyl)-2-hydroxybut-3-enyl)quinazolin-4(3H)-one C20H21N3O2 相似度:64.7% Journal of Heterocyclic Chemistry 2006 43 1057-1063 Convenient synthesis of some 2-substituted 4(3H)-quinazolinone derivatives I. Philipova,G. Dobrikov,K. Krumova and J. Kaneti Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . 1-(5-dimethylaminomethylenimino-1-phenylpyrazol-4-yl)benzotriazole C18H17N7 相似度:64.7% Journal of Heterocyclic Chemistry 2000 37 1617-1622 New routes to the synthesis of pyridazinone, ethoxypyridine, pyrazole and pyrazolo[1,5-a]pyrimidine derivatives incorporating a benzotriazole moiety Fatima Al-Omran, Osama Yousef Abd El-Hay and Adel Abou El-Khair Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . cis β-Lactam with adenine C21H18N6O 相似度:64.7% Bioorganic & Medicinal Chemistry Letters 2005 15 2015-2018 Synthesis of β-lactam nucleoside chimera via Kinugasa reaction and evaluation of their antibacterial activity Amit Basak, Runa Pal Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . compound 17a 相似度:64.7% Phytochemistry 1977 16 735-740 Xanthonolignoids from Kielmeyera and Caraipa species—13C NMR spectroscopy of xanthones João F. CastelãoJr., Otto R. Gottlieb, Roberto A. De Lima, Antonio A. L. Mesquita, Hugo E. Gottliebb and, Ernest Wenkert Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . compound 1i 相似度:64.7% Tetrahedron Letters 2002 43 2023-2027 Total synthesis of rubrolide M and some of its unnatural congeners Fabio Bellina, Chiara Anselmi, Renzo Rossi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . 6,7-Methylenedioxy-2-phenethylquinoline C18H15NO2 相似度:64.7% Tetrahedron Letters 2004 45 8879-8882 Preparation of quinolines from resin-bound esters using titanium reagents Calum Macleod, Carolyn A. Austin, Dieter W. Hamprecht, Richard C. Hartley Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . compound 7f 相似度:64.7% Tetrahedron Letters 2004 45 7409-7413 Synthesis of 4b,5,10a,11-tetrahydroindeno[1,2-b]quinolin-10-ones from Baylis-Hillman adducts Chang Gon Lee, Ka Young Lee, Saravanan GowriSankar, Jae Nyoung Kim Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . 2-Hydroxy-2'-Methoxybenzophenone 相似度:64.7% Heterocycles 2011 83 1077-1091 Xanthones in Heterocyclic Synthesis. An Efficient Route for the Synthesis of C-3 o-Hydroxyaryl Substituted 1,2-Benzisoxazoles and Their N-Oxides, Potential Scaffolds for Angiotensin(II) Antagonist Hybrid Peptides Yiannis Gardikis, Petros G. Tsoungas,* Constantinos Potamitis, Maria Zervou, and Paul Cordopatis Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . 2-Hydroxy-2'-Ethoxybenzophenone 相似度:64.7% Heterocycles 2011 83 1077-1091 Xanthones in Heterocyclic Synthesis. An Efficient Route for the Synthesis of C-3 o-Hydroxyaryl Substituted 1,2-Benzisoxazoles and Their N-Oxides, Potential Scaffolds for Angiotensin(II) Antagonist Hybrid Peptides Yiannis Gardikis, Petros G. Tsoungas,* Constantinos Potamitis, Maria Zervou, and Paul Cordopatis Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . chrysotoxene 相似度:61.1% Acta Pharmaceutica Sinica 1994 29 763-766 STUDIES ON CHEMICAL CONSTITUENTS OF DENDROBIUM CHRYSOTOXUM LINDL. GX Ma; GJ xu; LS Xu; ZT wang and T Kickuchi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . 1-acetyl-3-(2-hydroxy-4-methylphenyl)-5-styryl-2-pyrazoline C20H20N2O2 相似度:61.1% Journal of Heterocyclic Chemistry 2002 39 751-758 Synthesis of 3-aryl-5-styryl-2-pyrazolines by the reaction of (E,E)-cinnamylideneacetophenones with hydrazines and their oxidation into pyrazoles Albert LÉvai, TamÁs Patonay, Artur M. S. Silva, Diana C. G. A. Pinto and José A. S. Cavaleiro Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . compound 10a 相似度:61.1% Journal of Heterocyclic Chemistry 2010 47 85-90 Regioselective synthesis of pyrimido[5,4-c][2,1]benzothiazines by reactions of β-chloroaldehydes with n-c-n binucleophiles Kirill Popov, Tatyana Volovnenko, Alexander Turov and Yulian Volovenko Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 21 . 2-amino-4-(5-bromo-1H-indol-3yl)-4H-chromene-3-carbonitrile C18H12BrN3O 相似度:61.1% Indian Journal of Chemistry 2009 48B 1319-1323 Synthesis and antioxidant activity of indolyl chromenes Shanthia,Gnanamani; Perumal,Paramasivan T; Rao,Urmila; Sehgal,Praveen Kumar Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 22 . 3-amino-9-chloro-1-(4-hydroxyphenyl)-1H-benzo[h]chromene-2-carbonitrile C20H13ClN2O2 相似度:61.1% Heterocycles 2004 63 1793-1812 Synthesis of Hydroxyquinoline Derivatives, Aminohydroxychromene, Aminocoumarin and Their Antibacterial Activities Alaa S. Abd-El-Aziz,* Ahmed M. El-Agrody, Ahmed H. Bedair, T. Christopher Corkery, and Athar Ata Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 23 . 5-(4-(benzo[d][1,3]dioxol-5-ylmethylamino)-1-methyl-1H-imidazol-5-yl)-N-(4-chloro phenyl)-1,3,4-oxadiazol-2-amine C20H17ClN6O3 相似度:61.1% Bioorganic & Medicinal Chemistry Letters 2006 16 1440-1444 Hetaryl imidazoles: A novel dual inhibitors of VEGF receptors I and II Alexander S. Kiselyov, Marina Semenova, Victor V. Semenov Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 24 . (E)-1-(2-Chloroethyl)-3-(3-(3-hydroxy-4-methoxystyryl)-phenyl)urea 相似度:61.1% Bioorganic & Medicinal Chemistry Letters 2007 17 2000-2004 N-Phenyl-N′-(2-chloroethyl)urea analogues of combretastatin A-4: Is the N-phenyl-N′-(2-chloroethyl)urea pharmacophore mimicking the trimethoxy phenyl moiety? Sébastien Fortin, Emmanuel Moreau, Jacques Lacroix, Jean-Claude Teulade, Alexandre Patenaude, René C-Gaudreault Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 25 . gardenianan A C21H20O8 相似度:61.1% Chinese Traditional and Herbal Drugs 2010 41 509-514 A new lignan from Gardenia jasminoides YU Yang; GAO Hao; DAI Yi; LI Xiao-xia; LI Jia-ming; YAO Xin-sheng Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 26 . 2-chloro-5-methoxy-4-(N-tosyl-3'-indolyl)pyrimidine C20H16N3O3ClS 相似度:61.1% Heterocycles 2000 53 1489-1498 Synthesis of Indolylpyrimidines via Cross-Coupling of Indolylboronic Acid with Chloropyrimidines: Facile Synthesis of Meridianin D Biao Jiang* and Cai-guang Yang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 27 . 4-chlororutaecarpine C18H12N3OCl 相似度:61.1% Bioorganic & Medicinal Chemistry 2009 17 2351-2359 Synthesis and vasodilator effects of rutaecarpine analogues which might be involved transient receptor potential vanilloid subfamily, member 1 (TRPV1) Zhuo Chen, Gaoyun Hu, Dai Li, Jun Chen, Yuanjian Li, Huayong Zhou, Ye Xie Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 28 . 4-amino-2-(4-chlorophenyl)-7-methyl-2H-9-oxa-4a-aza-fluorene-1,3-dicarbonitrile 相似度:61.1% Journal of Heterocyclic Chemistry 2011 48 1126-1131 Syntheses of new benzoxazole derivatives Chiraz Youssef, Hamed Ben Ammar, Mohamed Belhouchet, Kassem Beydoun, Ridha Ben Salem, Henri Doucet and Pierre H. Dixneuf Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 29 . 5-(N1-benzotriazolomethyl)[1,2,4]triazolo[1,5-a]pyrido-[3',4'-c]-coumarin C20H12N6O2 相似度:60% Journal of Heterocyclic Chemistry 2003 40 249-254 Synthesis and biological effects of new derivatives of azines incorporating coumarin Fatima Al-Omran,Abdel-Zaher A. Elassar and Adel Abou El-Khair Structure 13C NMR 碳谱模拟图 |
2楼2012-05-12 16:02:01
2005112062
木虫 (正式写手)
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3楼2012-05-12 19:53:01