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去学吧银虫 (小有名气)
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[求助]
好心人呐，急求三个化合物的微谱数据。。。
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化合物1的碳的化学位移，用氘代甲醇和氘代水溶的： 125.2,128.7,139.2,151.2,153.6,167.8 化合物2的碳的化学位移，用氘代甲醇溶的： 12.1,27.7,28.8,30.7,31.3,36.9,40.6,41.6,57.6,58.7,64.7,110.4,116.1,125.1,128.2,129.6,130.8,131.3,137.3,139.1,149.4,152.8,153.7,157.0,167.4,169.8,173.4,179.4 化合物3的碳的化学位移，用氘代水溶的： 11.0,14.6,16.5,17.8,20.8,21.9,24.0,24.3,29.0,35.8,39.7,53.3,59.4,60.3,174.1,175.5 |
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- 急求微谱数据库查询
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audreygc
铁杆木虫 (正式写手)
- 应助: 236 (大学生)
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【答案】应助回帖
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第三个 查询结果：共查到7个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . 环(亮-异亮)二肽 C12H22N2O2 相似度:75% Journal of China Pharmaceutical University 2005 36 523-525 Aqueous Constituents from Stellaria Media(L.) Cyr. HU Yong-Mei; WANG Hao; YE Wen-Cai; LIU Ge Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . N-L-leucyl-L-proline methyl ester hydrochloride 相似度:56.2% Journal of Medicinal Chemistry 1995 38 3078-3085 Aziridine Analogs of [[trans-(Epoxysuccinyl)-L-leucyl]amino]-4-guanidinobutane (E-64) as Inhibitors of Cysteine Proteases Valeri Martichonok, Celine Plouffe, Andrew C. Storer, Robert Menard, J. Bryan Jones Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . (2RS,5S)-5,9-Diamino-2-methyl-4-oxononanoic Acid Dihydrochloride Salt C10H20N2O3 相似度:56.2% Journal of Medicinal Chemistry 1989 32 1378-1392 Inhibition of aminopeptidases by peptides containing ketomethylene and hydroxyethylene amide bond replacements Scott L. Harbeson, Daniel H. Rich Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . kojistatin A C17H32N4O5 相似度:52.9% Bioscience, Biotechnology, and Biochemistry 1996 60 1747-1748 Kojistatin A, a New Cysteine Protease Inhibitor Produced by Aspergillus oryzae Nobuyoshi SATO, Tatsuo HORIUCHI, Mitsutoshi HAMANO, Hiroshi SEKINE, Satoru CHIBA, Hiroki YAMAMOTO, Takeya YOSHIOKA, Ikuo KIMURA, Mikio SATAKE, Yoshiteru IDA Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . MagnesiuMandrographate 相似度:50% Acta Botanica Sinica 2001 43 1077-1080 Three Salts of Labdanic Acids froMandrographis paniculata ZHONGDe-Xin, XUAN Li-Jiang, XU Ya-Ming, BAI Dong-Lu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . AM4299 A C15H26O6N2 相似度:50% The Journal of Antibiotics 1994 47 1065-1068 AM4299 A AND B, NOVEL THIOL PROTEASE INHIBITORS ATSUKI MORISHITA, SATORU ISHIKAWA, YASUNOBU ITO, KIYOSHI OGAWA, MASAKI TAKADA, SATOSHI YAGINUMA, SHUJI YAMAMOTO Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . AM4299 B C16H27O7N3 相似度:50% The Journal of Antibiotics 1994 47 1065-1068 AM4299 A AND B, NOVEL THIOL PROTEASE INHIBITORS ATSUKI MORISHITA, SATORU ISHIKAWA, YASUNOBU ITO, KIYOSHI OGAWA, MASAKI TAKADA, SATOSHI YAGINUMA, SHUJI YAMAMOTO Structure 13C NMR 碳谱模拟图 |
3楼2013-03-04 14:09:03
audreygc
铁杆木虫 (正式写手)
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【答案】应助回帖
感谢参与，应助指数 +1
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第二个 查询结果：共查到13个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . 7'-O-demethylcephaeline C27H36N2O4 相似度:53.5% Phytochemistry 1999 52 1169-1176 Ipecac alkaloids from Cephaelis acuminata Atsuko Itoh, Yuki Ikuta, Yoshikazu Baba, Takao Tanahashi, Naotaka Nagakura Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . 4-(3'-ethyl-4'-hydroxy-3-methyl-biphenyl)-4-oxo-N-pyridin-3-ylethyl-butyramide C26H28N2O3 相似度:53.5% Bioorganic & Medicinal Chemistry 2008 16 4438-4456 Novel inhibitors of 17β-hydroxysteroid dehydrogenase type 1: Templates for design Gillian M. Allan, Nigel Vicker, Harshani R. Lawrence, Helena J. Tutill, Joanna M. Day, Marion Huchet, Eric Ferrandis, Michael J. Reed, Atul Purohit, Barry V.L. Potter Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . (S)-N-(12-aminododecyl)-4-hydroxy-α-[(1-oxo-2-phenylethyl)amino]benzenepropanamide trifluoroacetate 相似度:53.5% Journal of Medicinal Chemistry 2000 43 4526-4533 Solid-Phase Synthesis and Biological Evaluation of a Combinatorial Library of Philanthotoxin Analogues Kristian Strømgaard, Tim J. Brier, Kim Andersen, Ian R. Mellor, Alex Saghyan, Denis Tikhonov, Peter N. R. Usherwood, Povl Krogsgaard-Larsen, and Jerzy W. Jaroszewski Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . Pseudotheonamide A2 C36H45N9O8 相似度:51.6% Journal of the American Chemical Society 1999 121 2425-2431 Pseudotheonamides, Serine Protease Inhibitors from the Marine Sponge Theonella swinhoei1 Yoichi Nakao, Akito Masuda, Shigeki Matsunaga, and Nobuhiro Fusetani Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . 3-(3,17β-Dihydroxy-estra-1,3,5(10)-trien-16-ylidenemethyl)-benzamide C26H29NO3 相似度:50% Bioorganic & Medicinal Chemistry 2008 16 1849-1860 Estradiol and estrone C-16 derivatives as inhibitors of type 1 17β-hydroxysteroid dehydrogenase: Blocking of ER+ breast cancer cell proliferation induced by estrone Yannick Laplante, Christine Cadot, Michelle-Audrey Fournier, Donald Poirier Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . 2-((2-{[12-(9-{6-Chloro-2-methoxyacridinyl}amino)-dodecyl]amino}-2-oxoethyl){2-[(2-{[12-(9-{6-chloro-2-methoxyacridinyl}amino) dodecyl]amino}-2-oxoethyl)-(carboxymethyl)amino]ethyl}amino) acetic acid C62H84Cl2N8O8 相似度:50% Zeitschrift für Naturforschung B 2005 60 89-98 Synthesis of Dimeric Acridine Derived Nucleic Acid Intercalators R. Csuk, T. Brezesinski, G. Göthe, C. Raschke, and S. Reißmann Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . 2-{5-(4-hydroxyphenethoxy)-1-[5-(pyridine-2-yl)pentyl]-1H-indole-3-yl}ethanamine dihydrochloride C22H35N3O2Cl2 相似度:50% Bioorganic & Medicinal Chemistry 2010 18 3387-3402 Serotonin derivatives as a new class of non-ATP-competitive receptor tyrosine kinase inhibitors Anita Büttner, Thomas Cottin, Jing Xu, Lito Tzagkaroulaki, Athanassios Giannis Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . 2-(5-guanidinohexanamido)-5-(3-guanidinopropoxy)-N-(4-phenoxyphenyl)benzamide dihydrochloride C30H38N8O4 相似度:50% Bioorganic & Medicinal Chemistry 2009 17 6659-6670 ω-Conotoxin GVIA mimetics based on an anthranilamide core: Effect of variation in ammonium side chain lengths and incorporation of fluorine Asa Andersson, Jonathan B. Baell, Peter J. Duggan, Janease E. Graham, Richard J. Lewis, Natalie G. Lumsden, C. Elisabet Tranberg, Kellie L. Tuck, Aijun Yang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . 2-(5-guanidino-octanamido)-5-(3-guanidinopropoxy)-N-(4-phenoxyphenyl)benzamide dihydrochloride C30H38N8O4 相似度:50% Bioorganic & Medicinal Chemistry 2009 17 6659-6670 ω-Conotoxin GVIA mimetics based on an anthranilamide core: Effect of variation in ammonium side chain lengths and incorporation of fluorine Asa Andersson, Jonathan B. Baell, Peter J. Duggan, Janease E. Graham, Richard J. Lewis, Natalie G. Lumsden, C. Elisabet Tranberg, Kellie L. Tuck, Aijun Yang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . methyl (1S,4aS,5R,6R,8aS)-6-hydroxy-6-hydroxymethyl-1,4a-dimethyl-5-[2-(1-phenyl-1H-pyr-rol-3-yl)ethyl]decahydronaphthalene-1-carboxylate C27H37NO4 相似度:50% Russian Journal of Organic Chemistry 2008 44 67-75 Synthetic transformations of higher terpenoids: XVI. Synthesis of decahydronaphtho[1,2-g]indoles from lambertianic acid S. V. Chernov, E. E. Shul’ts, M. M. Shakirov and G. A. Tolstikov Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . compound 5b C29H27ClN2O5 相似度:50% Bioorganic & Medicinal Chemistry 2012 20 2498-2505 Synthesis of novel 9-O-N-aryl/aryl–alkyl amino carbonyl methyl substituted berberine analogs and evaluation of DNA binding aspects Anirban Basu, Parasuraman Jaisankar, Gopinatha Suresh Kumar Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . benzyl (3-{4-[2-[2-(2-amino-3H-imidazol-4-yl)ethylcarbamoyl]-2-(4-methoxybenzyloxyimino)ethyl]-2,6-dibromophenoxyl}propyl)carbamate C33H36Br2N6O6 相似度:50% Journal of Medicinal Chemistry 2006 49 2063-2076 Synthesis and Biological Evaluation of Purealin and Analogues as Cytoplasmic Dynein Heavy Chain Inhibitors Guangyu Zhu, Fanglong Yang, Raghavan Balachandran, Peter Höök, Richard B. Vallee, Dennis P. Curran, and Billy W. Day Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . N-(3,5-Dimethoxy-4-hydroxy-E-cinnamoyl)-L-tyrosine Dodecyl Ester C32H45NO7 相似度:50% Journal of Agricultural and Food Chemistry 2003 51 4596-4602 Synthesis of Lipophilic Clovamide Derivatives and Their Antioxidative Potential against Lipid Peroxidation Jakob P. Ley and Heinz-Jürgen Bertram Structure 13C NMR 碳谱模拟图 |
2楼2013-03-04 14:08:07
audreygc
铁杆木虫 (正式写手)
- 应助: 236 (大学生)
- 金币: 5115.1
- 红花: 5
- 帖子: 519
- 在线: 131小时
- 虫号: 1978000
- 注册: 2012-09-05
- 性别: MM
- 专业: 中药药效物质
【答案】应助回帖
★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
去学吧: 金币+35, ★★★很有帮助 2013-03-04 14:53:28
去学吧: 金币+35, ★★★很有帮助 2013-03-04 14:53:28
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第一个 氘代水 查询结果：共查到14个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . trans-[Pd(3pic)2Cl2] 相似度:66.6% Magnetic Resonance in Chemistry 2009 47 228-238 Experimental and quantum-chemical studies of 1H, 13C and 15N NMR coordination shifts in Au(III), Pd(II) and Pt(II) chloride complexes with picolines (pages 228–238) Leszek Pazderski, Jaromír Toušek, Jerzy Sitkowski, Kateřina Maliňáková, Lech Kozerski and Edward Szłyk Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . trans-[Pt(3pic)2Cl2] 相似度:66.6% Magnetic Resonance in Chemistry 2009 47 228-238 Experimental and quantum-chemical studies of 1H, 13C and 15N NMR coordination shifts in Au(III), Pd(II) and Pt(II) chloride complexes with picolines (pages 228–238) Leszek Pazderski, Jaromír Toušek, Jerzy Sitkowski, Kateřina Maliňáková, Lech Kozerski and Edward Szłyk Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . 9-(1-phosphonomethyl)hypoxanthine C6H7N4O4P 相似度:50% Bioorganic & Medicinal Chemistry 2012 20 1076-1089 Synthesis of 9-phosphonoalkyl and 9-phosphonoalkoxyalkyl purines:Evaluation of their ability to act as inhibitors of Plasmodium falciparum,Plasmodium vivax and human hypoxanthine–guanine–(xanthine)phosphoribosyltransferases Michal Česnek, Dana Hocková, Antonín Holý, Martin Dračínský, Ondřej Baszczyňski, John de Jersey, Dianne T. Keough, Luke W. Guddat Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . 3-methylpyridine N-oxide-2,6-d2 相似度:50% Journal of Heterocyclic Chemistry 2009 46 213-216 Synthesis and spectroscopic properties of some di-and trideuterated methylpyridines James W. Pavlik,Tharinee Vongnakorn and Supawan Tantayanon Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . potassium 3-phenylfurazan-4-sulfonate C8H5KN2O4S 相似度:50% Journal of Heterocyclic Chemistry 2009 46 866-872 Unsymmetrically substituted furoxans. Part 19. Methyl and phenylfuroxansulfonic acids and related sulfonamides Konstantin Chegaev,Barbara Rolando,Stefano Guglielmo,Roberta Fruttero and Alberto Gasco Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . trans-[Pd(py)2Cl2] 相似度:50% Magnetic Resonance in Chemistry 2009 47 228-238 Experimental and quantum-chemical studies of 1H, 13C and 15N NMR coordination shifts in Au(III), Pd(II) and Pt(II) chloride complexes with picolines (pages 228–238) Leszek Pazderski, Jaromír Toušek, Jerzy Sitkowski, Kateřina Maliňáková, Lech Kozerski and Edward Szłyk Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . trans-[Pt(py)2Cl2] 相似度:50% Magnetic Resonance in Chemistry 2009 47 228-238 Experimental and quantum-chemical studies of 1H, 13C and 15N NMR coordination shifts in Au(III), Pd(II) and Pt(II) chloride complexes with picolines (pages 228–238) Leszek Pazderski, Jaromír Toušek, Jerzy Sitkowski, Kateřina Maliňáková, Lech Kozerski and Edward Szłyk Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . cis-[Pt(3pic)2Cl2] 相似度:50% Magnetic Resonance in Chemistry 2009 47 228-238 Experimental and quantum-chemical studies of 1H, 13C and 15N NMR coordination shifts in Au(III), Pd(II) and Pt(II) chloride complexes with picolines (pages 228–238) Leszek Pazderski, Jaromír Toušek, Jerzy Sitkowski, Kateřina Maliňáková, Lech Kozerski and Edward Szłyk Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . [Pt(3pic)4]Cl2 相似度:50% Magnetic Resonance in Chemistry 2009 47 228-238 Experimental and quantum-chemical studies of 1H, 13C and 15N NMR coordination shifts in Au(III), Pd(II) and Pt(II) chloride complexes with picolines (pages 228–238) Leszek Pazderski, Jaromír Toušek, Jerzy Sitkowski, Kateřina Maliňáková, Lech Kozerski and Edward Szłyk Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . trans-[Pt(4pic)2Cl2] 相似度:50% Magnetic Resonance in Chemistry 2009 47 228-238 Experimental and quantum-chemical studies of 1H, 13C and 15N NMR coordination shifts in Au(III), Pd(II) and Pt(II) chloride complexes with picolines (pages 228–238) Leszek Pazderski, Jaromír Toušek, Jerzy Sitkowski, Kateřina Maliňáková, Lech Kozerski and Edward Szłyk Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . 2-(1-aminoethyl)thiazole-4-carboxylic acid C6H8N2O2S 相似度:50% Tetrahedron 2001 57 9683-9687 Absolute stereochemistry and solution conformation of promothiocins Bong-Sik Yun, Ken-ichi Fujita, Kazuo Furihata, Haruo Seto Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . 2-iodo-1,4-benzenedisulfonic acid sesterhydrate C6H5IO6S2 相似度:50% European Journal of Organic Chemistry 2011 1695-1701 Syntheses and Reactions of 2,5-Disulfobenzene-1-diazonium Salts: Towards Functionalized Sulfonate Metal–Organic Frameworks Thomas W. T. Muesmann, Jan Ohlert, Mathias S. Wickleder and Jens Christoffers Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . thymine 相似度:50% Acta Scientiarum Naturalium Universitatis Sunyatseni 2002 41(6) 38-41 Studies on the Secondary Metabolites of the Soft Coral Sinularia grayi Tix.-Dur. MA Xiang-quan, ZHANG Guang-wen, SU Jing-yu, ZENG Long-mei Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . thymine C5H6N2O2 相似度:50% Acta Scientiarum Naturalium Universitatis Sunyatseni 2002 41(2) 114-116 Studies on Chemical Constitutions of the Soft Coral Sinularia cervicornis Tix.-Dur. HE Xi-xin, YANG Ruo-lin, SU Jing-yu, ZENG Long-mei Structure 13C NMR 碳谱模拟图 氘代甲醇 查询结果：共查到9个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . Compound 6i C8H10ON3Cl 相似度:50% Bioorganic & Medicinal Chemistry Letters 2002 12 1507-1510 Electrochemical and peroxidase oxidation study of N′-Hydroxyguanidine derivatives as NO donors Tingwei Cai, Ming Xian, Peng George Wang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . compound 2j C6H5BBrNO4 相似度:50% Tetrahedron Letters 2005 46 4453-4455 A facile and convenient synthesis of functionalized ortho-nitrophenylboronic acids Scott E. Collibee, Jiaxin Yu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . compound 2k C7H5BN2O4 相似度:50% Tetrahedron Letters 2005 46 4453-4455 A facile and convenient synthesis of functionalized ortho-nitrophenylboronic acids Scott E. Collibee, Jiaxin Yu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . thymine 相似度:50% Journal of China Pharmaceutical University 2007 38 315-319 Chemical constituents of the aerial parts of Euphorbia sororia ZHANG Wei-ku; ZHANG Xiao-qi; YE Wen-cai; Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . Hexakis[4-(hydroxymethyl)phenoxy]cyclotriphosphazene C42H42N3O12P3 相似度:50% Zeitschrift für Naturforschung B 2009 64 551-554 Synthesis and Characterization of Cyclotriphosphazenes Bearing Six Bile Acid Arms G. Fantin, M. Fogagnolo, and P. P. Giovannini Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . (R)-2-amino-1-(4-nitrophenyl)ethanol C8H10N2O3 相似度:50% Tetrahedron 2012 68 3396-3409 Copper bis(oxazolines) as catalysts for stereoselective aziridination of styrenes with N-tosyloxycarbamates Hélène Lebel, Michaël Parmentier, Olivier Leogane, Karen Ross, Cédric Spitz Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . 5-hydroxy-2-pyridinemethanol 相似度:50% Shoyakugaku Zasshi 1988 42 339-342 Constituents of the Roots of Codonopsis pilosula WANG ZHENG-TAO, XU GUO-JUN, HATTORI MASAO, NAMBA TSUNEO Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . adenine 相似度:50% Chinese Traditional and Herbal Drugs 2012 43 458-462 Chemical constituents of Astragalus membranaceus var. mongholicus LUO Zhou; SU Ming-zhi; YAN Ming; SHI Guo-bing; ZHAO Qing-chun Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . nicotinamide C6H6N2O 相似度:50% Chinese Traditional and Herbal Drugs 2012 43 2361-2364 Chemical constituents in ethylacetate fraction of Lycium barbarum XU Fei; WANG Xiao-zhong; SUN Yang; ZHANG Lei; GONG Bo-lin Structure 13C NMR 碳谱模拟图 |
4楼2013-03-04 14:12:07