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308694164铜虫 (著名写手)
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[求助]
求助微谱数据库查询3个化合物的模糊查找（》80%）
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A 209.1,204.2,201.0,170.9,122.9,90.4,78.2,76.0,51.4,45.7,43.3,30.0,29.8,29.7,27.8,26.9,23.5,22.2,21.9,21.3,19.2 B. 214.8,208.8,204.0,198.4,124.9,90.0,78.9,53.3,51.4,45.2,34.0,31.8,30.9,29.7,28.2,27.1,23.6,22.9,21.1 C. 190.9,161.8,156.9,144.2,138.3,128.5,127.1,106.1,17.1,12.7 邮箱：308694164@qq.com [ Last edited by 308694164 on 2012-11-5 at 12:57 ] |
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superspace
至尊木虫 (著名写手)
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【答案】应助回帖
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感谢参与，应助指数 +1
308694164: 金币+3, 谢谢应助 2012-11-05 21:51:21
感谢参与，应助指数 +1
308694164: 金币+3, 谢谢应助 2012-11-05 21:51:21
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化合物A的匹配度在55%以上的匹配信息 查询结果：共查到149个化合物(查询结果仅供参考) 1 . 13-ethyl-gona-4-ene-11α,17β-diacetate 相似度:60.8% Steroids 2002 67 145-150 Reduction of aromatic steroidal A rings by lithium in ethyl amine Emilia Modica, Diego Colombo, Federica Compostella, Antonio Scala, Fiamma Ronchetti Structure 13C NMR 碳谱模拟图 2 . compound 2 C23H38O5 相似度:60.8% Journal of Natural Products 1994 Vol 57 100 New Cembrene Diterpenes from the Resins of Eremophila Species Emilio L. Ghisalberti, Phillip R. Jefferies, Trevor A. Mori, Edi Twiss Structure 13C NMR 碳谱模拟图 3 . compound 18 C21H31ClN2O7S 相似度:57.1% Journal of Natural Products 2007 70 269-276 Salinosporamides D-J from the Marine Actinomycete Salinispora tropica, Bromosalinosporamide, and Thioester Derivatives Are Potent Inhibitors of the 20S Proteasome Katherine A. Reed, Rama Rao Manam, Scott S. Mitchell, Jianlin Xu, Sy Teisan, Ta-Hsiang Chao, Gordafaried Deyanat-Yazdi,Saskia T. C. Neuteboom, Kin S. Lam, and Barbara C. M. Potts Structure 13C NMR 碳谱模拟图 4 . 2–(2–Methoxycarbonylcyclopentylcarbamoyl)–pyrrolidine–1–carboxylic acid tert–butyl ester C17H28N2O5 相似度:57.1% Molecules 2008 13 432-443 Synthesis and Antimalarial Evaluation of Cyclic β-Amino Acid-Containing Dipeptides Manisha Sathe, D. Thavaselvam, A. K. Srivastava and M. P. Kaushik Structure 13C NMR 碳谱模拟图 5 . methyl 15-hydroxy-1(10),13Z-ent-halimadien-18-oate C21H34O3 相似度:57.1% Natural Product Research 2001 15 387-391 Minor Diterpenoids from Halimium viscosum J. G. Urones; M. J. Sexmero; F. A. Hernandez; A. B. Pedrero; P. Basabe; D. Diez; I. S. Marcos Structure 13C NMR 碳谱模拟图 6 . 10-acetylferruginol 相似度:57.1% Phytochemistry 1991 30 2085-2086 Abietane diterpenoids from Salvia microstegia A. Ulubelen, G. Topcu Structure 13C NMR 碳谱模拟图 7 . compound 3a C18H26O 相似度:57.1% Tetrahedron Letters 2003 44 6133-6136 H-abstraction prevails over α-cleavage in the solution and solid state photochemistry of cis-2,6-di(1-cyclohexenyl)cyclohexanone Christopher J. Mortko, Hung Dang, Luis M. Campos, Miguel A. Garcı́a-Garibay Structure 13C NMR 碳谱模拟图 8 . compound 2 C20H32O2 相似度:57.1% Journal of Natural Products 2011 74 574-579 Bioactive Sesqui-and Diterpenoids from the Argentine Liverwort Porella chilensis Miguel Gilabert, Alberto N. Ramos, María M. Schiavone, Mario E. Arena, and Alicia Bardón Structure 13C NMR 碳谱模拟图 9 . Harzianone C20H30O 相似度:57.1% Organic Letters 2012 14 3815-3817 Absolute Configurations of Unique Harziane Diterpenes from Trichoderma Species Feng-Ping Miao, Xiao-Rui Liang, Xiu-Li Yin, Gang Wang, and Nai-Yun Ji Structure 13C NMR 碳谱模拟图 10 . buxapapillosin C23H36O4 相似度:56.5% Natural Product Research 1993 3 131-138 Buxapapillosin - A New Triterpene from the Roots of Buxus papillosa Atta-ur-rahman; Habib Nasir; S. Safdar Ali; Zahida Iqbal Structure 13C NMR 碳谱模拟图 11 . methyl 15-acetoxy-1(10)-ent-halimen-18-oate 相似度:56.5% Phytochemistry 1997 44 1301-1307 Hydrohalimic acids from Halimium viscosum Dina I. M. D. de Mendonça, Jesus M. L. Rodilla, Anna M. Lithgow, Isidro S. Marcos Structure 13C NMR 碳谱模拟图 12 . (S)-N-((S)-1-(benzyloxy)-2-oxoazepan-3-yl)-3-hydroxy-2,2-dimethyl-decanamide C25H40N2O4 相似度:56.5% The Journal of Organic Chemistry 2008 73 1018-1024 Syntheses and Biological Activity of Amamistatin B and Analogs Kelley A. Fennell, Ute Möllmann, and Marvin J. Miller Structure 13C NMR 碳谱模拟图 |
3楼2012-11-05 20:17:17
tristan5072
木虫 (正式写手)
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密码么？什么意思？2楼2012-11-05 15:58:31
superspace
至尊木虫 (著名写手)
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【答案】应助回帖
★ ★ ★
308694164: 金币+3, ★★★★★最佳答案, 谢谢应助 2012-11-05 21:51:59
308694164: 金币+3, ★★★★★最佳答案, 谢谢应助 2012-11-05 21:51:59
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化合物B的55%以上的匹配信息 1 . 5,20-Dioxo-A-nor-3,5-secopregnane-3-oic acid 相似度:60% Molecules 2012 17 355-368 Synthesis and 5α-Reductase Inhibitory Activity of C21 Steroids Having 1,4-diene or 4,6-diene 20-ones and 4-Azasteroid 20-Oximes Sujeong Kim, Yong-ung Kim and Eunsook Ma Structure 13C NMR 碳谱模拟图 2 . 5α-Androst-3-en-17β-ol 相似度:57.8% Steroids 2008 73 1409-1415 Synthesis and biochemical studies of 17-substituted androst-3-enes and 3,4-epoxyandrostanes as aromatase inhibitors Margarida M.D.S. Cepa, Elisiário J. Tavares da Silva, Georgina Correia-da-Silva, Fernanda M.F. Roleira, Natércia A.A. Teixeira Structure 13C NMR 碳谱模拟图 3 . (E)-10-methoxy-8-oxo-9-octadecenoate C20H36O4 相似度:57.8% Phytochemistry 1994 35 1245-1247 Two aliphatic enone ethers from Hibiscus rosa-sinensis Munehiro Nakatani, Kimi Matsuoka, Yasuto Uchio, Tsunao Hase Structure 13C NMR 碳谱模拟图 4 . Methyl (Z)-8-(2-hexylcyclopropane-1-yl)-8-oxo-octanoate C18H32O3 相似度:57.8% Organic Letters 2006 Vol. 8, No. 1 79-81 Configurational Analysis of Cyclopropyl Fatty Acids Isolated from Escherichia coli Laura J. Stuart, James P. Buck, Amy E. Tremblay, and Peter H. Buist Structure 13C NMR 碳谱模拟图 5 . 17α-hydroxy-3α,21-disulfooxy-5β-pregnane-11,20-dione disodium salt C21H30O11SNa2 相似度:57.1% Chemical & Pharmaceutical Bulletin 2010 58 344-353 Potential Corticoid Metabolites: Chemical Synthesis of 3- and 21-Monosulfates and Their Double-Conjugates of Tetrahydrocorticosteroids in the 5α- and 5β-Series Rika Okihara, Kuniko Mitamura, Maki Hasegawa, Megumi Mori, Akina Muto, Genta Kakiyama, Shoujiro Ogawa, Takashi Iida, Miki Shimada, Nariyasu Mano and Shigeo Ikegawa Structure 13C NMR 碳谱模拟图 6 . 13,16β-dihydroxystemodan-2-one 相似度:55% Phytochemistry 2002 59 57-62 Biotransformation of terpenes from Stemodia maritima by Aspergillus niger ATCC 9142 Avril R.M. Chen, Paul B. Reese Structure 13C NMR 碳谱模拟图 7 . diacarperoxide C C20H34O6 相似度:55% Journal of Natural Products 2008 71(8) 1358-1364 Diacarperoxides, Norterpene Cyclic Peroxides from the Sponge Diacarnus megaspinorhabdosa Sabrin R. M. Ibrahim, Rainer Ebel, Victor Wray, Werner E. G. Müller, RuAngelie Edrada-Ebel, and Peter Proksch Structure 13C NMR 碳谱模拟图 8 . 20-Hydroxyimino-5-oxo-A-nor-3,5-secopregnan-3-oic acid 相似度:55% Molecules 2009 14 4655-4668 Synthesis of Pregnane Derivatives, Their Cytotoxicity on LNCap and PC-3 Cells, and Screening on 5α-Reductase Inhibitory Activity Sujeong Kim and Eunsook Ma Structure 13C NMR 碳谱模拟图 9 . 3α-Hydroxy-6-oxa-5α-pregnan-20-one 相似度:55% Steroids 2000 65 349-356 Synthesis and GABAA receptor activity of 6-oxa-analogs of neurosteroids Daniel Nicoletti, Alberto A. Ghini, Roman Furtmüller, Werner Sieghart, Robert H. Dodd, Gerardo Burton Structure 13C NMR 碳谱模拟图 10 . 3-(3,17β-Dihydroxyestra-1,3,5(10)-trien-4-yl)thiopropanoic acid 相似度:55% Steroids 2006 71 618-631 Estrogen conjugation and antibody binding interactions in surface plasmon resonance biosensing John S. Mitchell, Yinqiu Wu, Christian J. Cook, Lyndsay Main Structure 13C NMR 碳谱模拟图 11 . eduenone C20H30O 相似度:55% Journal of Natural Products 1995 Vol 58 226-232 Additional Dolabellane Diterpenes from the Caribbean Gorgonian Octocoral Eunicea laciniata Abimael D. Rodríguez, Eduvigis González, Cynthia González Structure 13C NMR 碳谱模拟图 12 . 11ξ-hydroxystemodinone 相似度:55% Phytochemistry 1994 36 1391-1393 Biotransformation of some stemodane diterpenoids by Cephalosporium aphidicola James R. Hanson, Paul B. Reese, Jacqueline A. Takahashi, Maureen R. Wilson Structure 13C NMR 碳谱模拟图 13 . Methyl 10-ketolactobacillate (Methyl (Z)-10-(2-hexylcyclopropane-1-yl)-10-oxodecanoate) C20H36O3 相似度:55% Organic Letters 2006 Vol. 8, No. 1 79-81 Configurational Analysis of Cyclopropyl Fatty Acids Isolated from Escherichia coli Laura J. Stuart, James P. Buck, Amy E. Tremblay, and Peter H. Buist Structure 13C NMR 碳谱模拟图 14 . Methyl 13-ketolactobacillate (Methyl (Z)-10-(2-(1-oxo)-hexylcyclopropane-1-yl)-decanoate) C20H36O3 相似度:55% Organic Letters 2006 Vol. 8, No. 1 79-81 Configurational Analysis of Cyclopropyl Fatty Acids Isolated from Escherichia coli Laura J. Stuart, James P. Buck, Amy E. Tremblay, and Peter H. Buist Structure 13C NMR 碳谱模拟图 15 . Cyanthiwigin AC C20H30O3 相似度:55% Organic Letters 2003 Vol. 5, No. 24 4575-4578 Cyanthiwigin AC and AD, Two Novel Diterpene Skeletons from the Jamaican Sponge Myrmekioderma styx Jiangnan Peng, Mitchell A. Avery, and Mark T. Hamann Structure 13C NMR 碳谱模拟图 16 . Neolaxiflorin F C20H24O6 相似度:55% Tetrahedron Letters 2012 53 2777-2781 Biogenetically related caged ent-kaurane diterpenoids from Isodon eriocalyx var.laxiflora Wei-Guang Wang, Xiao-Nian Li, Xue Du, Ke Dong, Wei Zhao, Hai-Yan Wu, Ling-Mei Kong,Yan Li, Jian-Xin Pu, Han-Dong Sun Structure 13C NMR 碳谱模拟图 17 . 17β-Acetylamino-10β-hydroxyestr-4-en-3-one 相似度:55% Steroids 1998 63 484-495 Microbial hydroxylation of acetylaminosteroids HerbertL Holland, Gingipalli Lakshmaiah, PeterL Ruddock Structure 13C NMR 碳谱模拟图 |
4楼2012-11-05 20:22:01
superspace
至尊木虫 (著名写手)
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【答案】应助回帖
★ ★ ★ ★
308694164: 金币+4, ★★★很有帮助, 谢谢应助 2012-11-05 21:51:46
308694164: 金币+4, ★★★很有帮助, 谢谢应助 2012-11-05 21:51:46
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化合物C的55以上匹配信息 1 . 1-{4-[3,5-Di(4-acetylphenoxymethyl)benzyloxy]phenyl}-1-ethanone-N-aminocarbonyl semicarbazone C36H39N9O6 相似度:60% Molecules 2005 10 1126-1134 New Multi-1, 2, 3-Selenadiazole Aromatic Derivatives M. Al-Smadi and S. Ratrout Structure 13C NMR 碳谱模拟图 2 . 1-{4-[3,5-di(4-acetylphenoxymethyl)benzyloxy]phenyl}-1-ethanone-N-aminocarbonylsemi-carbazone C36H39N9O6 相似度:60% Journal of Heterocyclic Chemistry 2004 41 887-891 New many fold 1,2,3-selenadiazole aromatic derivatives Mousa Al-Smadi and Samer Ratrout Structure 13C NMR 碳谱模拟图 3 . 5-amino-1-(p-chlorophenacyl)-2-methyl-4-nitroimidazole C12H11N4O3Cl 相似度:60% Journal of Heterocyclic Chemistry 2010 47 1049-1055 Selective reduction of 2,4-dinitro- and 4,5-dinitroimidazole derivatives using iron dust Dorota Olender, Justyna Żwawiak and Lucjusz Zaprutko Structure 13C NMR 碳谱模拟图 4 . (4Z)-4-{[5-hydroxy-1-phenyl-3-trifluoromethyl-1H-pyrazol-4-yl]methylene}-2-phenyl-5-trifluoromethyl-2,4-dihydro-3H-pyrazol-3-one C21H12N4O2F6 相似度:60% Heterocycles 2006 68 1825-1836 4-Acyl-5-hydroxy-1-phenyl-3-trifluoromethylpyrazoles: Synthesis and NMR Spectral Investigations Sabine Bieringer and Wolfgang Holzer* Structure 13C NMR 碳谱模拟图 5 . 3-ethyl-4-(benzylthio)-1H-pyrazol-5(4H)-one C12H14N2OS 相似度:60% Journal of Heterocyclic Chemistry 2011 48 323-330 A novel route to 4-oxy/thio substituted-1H-pyrazol-5(4H)-ones via efficient cross-Claisen condensation R. Venkat Ragavan and V. Vijayakumar Structure 13C NMR 碳谱模拟图 6 . 2-methyl-1-phenyl-1H-imidazole C11H13N2 相似度:60% Chinese Chemical Letters 2012 23 301-304 Practical copper-catalyzed N-arylation of amines with 20% aqueous solution of n-Bu4NOH Hamidreza Molaei, Mohammad Mehdi Ghanbari Structure 13C NMR 碳谱模拟图 7 . 2-(6,6,10,10-tetramethyl-4-thioxo-2-tosylimino-1-oxa-3-azaspiro[4,5]decan-3-yl)-N,N-2-trimethylpropionamide C25H37N3O4S2 相似度:60% Heterocycles 2012 84 945-961 Reactivity of N-Alkylthiiranimines toward Simple Nucleophiles and Iso(thio)cyanates Hildegard Nimmesgern, Ernst Schaumann,* and Gunadi Adiwidjaja Structure 13C NMR 碳谱模拟图 8 . 2-(5,5-di-tert-butyl-4-thioxo-2-tosylimino-oxazolidin-3-yl)-N,N-2-trimethylpropionamide C24H37N3O4S2 相似度:60% Heterocycles 2012 84 945-961 Reactivity of N-Alkylthiiranimines toward Simple Nucleophiles and Iso(thio)cyanates Hildegard Nimmesgern, Ernst Schaumann,* and Gunadi Adiwidjaja Structure 13C NMR 碳谱模拟图 |
5楼2012-11-05 20:26:43