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lcyscau木虫 (正式写手)
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[求助]
微谱数据求助 已有1人参与
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碳谱数据如下，溶剂氘代丙酮，查的时候不用考虑溶剂只要有50%以上的相似度就可以了，谢谢！13.4,13.8,20.6,21.1,32.9,35.2,35.3,38.2,38.9,42.6,49.8,50.6,54.4,58.6,63.5,66.1,72.8,72.9,111.8,113.3,120.2,120.7,123.2,125.8,125.9,129.7,131.1,134.8,136.6,138.6,150.5,175.9,205.9,210.6 [ Last edited by lcyscau on 2014-4-24 at 23:17 ] |
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风行者007
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lcyscau: 金币+20, ★★★很有帮助 2014-06-10 18:32:06
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查询结果：共查到50个化合物(查询结果仅供参考) 1 . penochalasin F C32H38N2O5 相似度:70.5% Tetrahedron 2001 57 2997-3004 Cytotoxic cytochalasans from a Penicillium species separated from a marine alga Chika Iwamoto, Takeshi Yamada, Yoshinori Ito, Katsuhiko Minoura, Atsushi Numata Structure 13C NMR 碳谱模拟图 2 . chaetoglobosin O C37H46N2O5 相似度:70.5% Spectroscopy 2003 17 725-734 New chaetoglobosins from maize infested by Phomopsis leptostromiformis fungi.Production, identification, and semi-synthesis Ludovic Burlot, Jean-Claude Cherton∗, Odile Convert, Isabelle Correia and Bruno Dennetiere Structure 13C NMR 碳谱模拟图 3 . penochalasin E C32H38N2O5 相似度:64.7% Tetrahedron 2001 57 2997-3004 Cytotoxic cytochalasans from a Penicillium species separated from a marine alga Chika Iwamoto, Takeshi Yamada, Yoshinori Ito, Katsuhiko Minoura, Atsushi Numata Structure 13C NMR 碳谱模拟图 4 . penochalasin H C32H38N2O5 相似度:58.8% Tetrahedron 2001 57 2997-3004 Cytotoxic cytochalasans from a Penicillium species separated from a marine alga Chika Iwamoto, Takeshi Yamada, Yoshinori Ito, Katsuhiko Minoura, Atsushi Numata Structure 13C NMR 碳谱模拟图 5 . penochalasin D C32H37N3O3 相似度:55.8% Tetrahedron 2001 57 2997-3004 Cytotoxic cytochalasans from a Penicillium species separated from a marine alga Chika Iwamoto, Takeshi Yamada, Yoshinori Ito, Katsuhiko Minoura, Atsushi Numata Structure 13C NMR 碳谱模拟图 6 . Cryptophycin E Methyl Ester C36H47ClN2O9 相似度:55.8% Journal of the American Chemical Society 1994 116 4729-4737 Total Structures of Cryptophycins, Potent Antitumor Depsipeptides from the Blue-Green Alga Nostoc sp. Strain GSV 224 Golakoti Trimurtulu, Ikuko Ohtani, Gregory M. L. Patterson, Richard E. Moore, Thomas H. Corbett, Frederick A. Valeriote, Lisa Demchik Structure 13C NMR 碳谱模拟图 7 . (2S,4S,5S,7S)-5-Azido-N-(2,2-dimethyl-3-(4-methylphenyl sulfonamido)propyl)-4-hydroxy-2-isopropyl-7-(4-methoxy-3-(3-methoxypropoxy)benzyl)-8-methylnonanamide C37H59N5O7S 相似度:54.2% Bioorganic & Medicinal Chemistry 2011 19 4238-4249 Synthesis, biological evaluation and docking studies of octane-carboxamide based renin inhibitors with extended segments toward S3' site of renin Yong Wu, Chen Shi, Xiaowei Sun, Xiaoming Wu, Hongbin Sun Structure 13C NMR 碳谱模拟图 8 . cryptophycin-327 C35H43ClN2O8 相似度:52.9% Journal of Natural Products 2004 67 1403-1406 Isolation and Structure Determination of Cryptophycins 38, 326,and 327 from the Terrestrial Cyanobacterium Nostoc sp. GSV 224 Sreedhara Chaganty, Trimurtulu Golakoti, Carl Heltzel, Richard E. Moore, and Wesley Y. Yoshida Structure 13C NMR 碳谱模拟图 9 . O-Acetyl-C-tryptophanyirauwolscinamide C33H38N5O4 相似度:52.9% Bioorganic & Medicinal Chemistry 1996 4 1097-1106 Combinatorial modification of natural products: Preparation of unencoded and encoded libraries of Rauwolfia alkaloids Andy Atuegbu, Derek Maclean, Cindy Nguyen, Eric M. Gordon, Jeffrey W. Jacobs Structure 13C NMR 碳谱模拟图 10 . chaetoglobosin M 相似度:52.9% Spectroscopy 2003 17 725-734 New chaetoglobosins from maize infested by Phomopsis leptostromiformis fungi.Production, identification, and semi-synthesis Ludovic Burlot, Jean-Claude Cherton?, Odile Convert, Isabelle Correia and Bruno Dennetiere Structure 13C NMR 碳谱模拟图 11 . chaetoglobosin V 相似度:52.9% Chirality 2012 24 668-674 Chaetoglobosin Vb from Endophytic Chaetomium Globosum: Absolute Configuration of Chaetoglobosins Min Xue, Qiang Zhang, Jin-Ming Gao, He Li, Jun-Mian Tian and Gennaro Pescitelli Structure 13C NMR 碳谱模拟图 12 . chaetoglobosin G 相似度:52.9% Chirality 2012 24 668-674 Chaetoglobosin Vb from Endophytic Chaetomium Globosum: Absolute Configuration of Chaetoglobosins Min Xue, Qiang Zhang, Jin-Ming Gao, He Li, Jun-Mian Tian and Gennaro Pescitelli Structure 13C NMR 碳谱模拟图 13 . 11-Benzyl-4'-methyl-1',9-ditosyl-1',5',8,9,10,11-hexa-hydrospiro[benzo[g]pyrido[3,4-b]indole-7,2'-pyrrole] C40H37N3O4S2 相似度:52.9% Tetrahedron 2014 70 702-707 Gold(I)-catalyzed rearrangement of alkynylaziridine indoles for the synthesis of spiro-tetrahydro-β-carbolines Yan-Fang Yang, Lian-Hua Li, Yu-Tao He, Jian-Yi Luo, Yong-Min Liang Structure 13C NMR 碳谱模拟图 14 . 9,10-dihydrophenanthrenoid C36H36O4 相似度:52.7% Tetrahedron Letters 2002 43 2573-2575 A new dimeric 9,10-dihydrophenanthrenoid from the rhizome of Juncus acutus Marina DellaGreca, Antonio Fiorentino, Pietro Monaco, Lucio Previtera, Armando Zarrelli Structure 13C NMR 碳谱模拟图 15 . N-(3-((2S,4S,5S,7S)-5-Azido-4-hydroxy-2-isopropyl-7-(4-methoxy-3-(3-methoxypropoxy)benzyl)-8-methyl nonanamido)-2,2-dimethylpropyl)-4-methoxybenzamide C38H59N5O7 相似度:51.4% Bioorganic & Medicinal Chemistry 2011 19 4238-4249 Synthesis, biological evaluation and docking studies of octane-carboxamide based renin inhibitors with extended segments toward S3' site of renin Yong Wu, Chen Shi, Xiaowei Sun, Xiaoming Wu, Hongbin Sun Structure 13C NMR 碳谱模拟图 16 . N-(3-((2S,4S,5S,7S)-5-Azido-4-hydroxy-2-isopropyl-7-(4-methoxy-3-(3-methoxypropoxy)benzyl)-8-methylnonanamido)-2,2-dimethylpropyl)-4-methoxybenzamide C38H61N3O7 相似度:51.4% Bioorganic & Medicinal Chemistry 2011 19 4238-4249 Synthesis, biological evaluation and docking studies of octane-carboxamide based renin inhibitors with extended segments toward S3' site of renin Yong Wu, Chen Shi, Xiaowei Sun, Xiaoming Wu, Hongbin Sun Structure 13C NMR 碳谱模拟图 17 . compound 6 相似度:51.3% Tetrahedron Letters 2002 43 3365-3367 Reaction of cryptophycin 52 with thiols Michael J Martinelli, Rajappa Vaidyanathan, Vien Van Khau, Michael A Staszak Structure 13C NMR 碳谱模拟图 18 . (16R,5'R,7’R,7a'R)-Spiro[5'.2'']acenaphthylene-1''-onespiro[16.6']-7'-(4-fluorophenyl)-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazolo-trans-androsterone C41H44BrNO3S 相似度:51.2% Steroids 2013 78 409-417 Synthesis of novel 16-spiro steroids: Spiro-70-(aryl)tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazolo-trans-androsterone hybrid heterocycles Selvaraj Kanchithalaivan, Raju Ranjith Kumar ⇑, Subbu Perumal Structure 13C NMR 碳谱模拟图 19 . Lutein-3,3'-diyl Bis[methyl carbonate] 相似度:50% Helvetica Chimica Acta 2004 Vol. 87 1254 Confirmation of the Structures of Lutein and Zeaxanthin Anthony Linden, Bruno Bürgi, and Conrad Hans Eugster Structure 13C NMR 碳谱模拟图 20 . (7E,9S,13S)-7-deoxy-7,14(29)-dien-9-13-cyclodiscodermolide C33H53NO7 相似度:50% Journal of Natural Products 2004 67 749-756 Synthetic Analogues of the Microtubule-Stabilizing Agent (+)-Discodermolide: Preparation and Biological Activity Sarath P. Gunasekera, Stuart J. Mickel, Robert Daeffler,Daniel Niederer, Amy E. Wright, Patricia Linley, and Tara Pitts Structure 13C NMR 碳谱模拟图 21 . excoecariatoxin acetate 相似度:50% Journal of Natural Products 1985 Vol 48 102-107 Daphnane Diterpenes from Diarthron vesiculosum: Vesiculosin and Isovesiculosin Richard G. Powell, David Weisleder, Cecil R. Smith Jr Structure 13C NMR 碳谱模拟图 22 . 11-((1-(3-(4-Phenylpiperazin-1-yl)propyl)-1H-1,2,3-triazol-4-yl)methoxy)-N-propylnoraporphine C35H42N6O 相似度:50% Bioorganic & Medicinal Chemistry 2011 19 1999-2008 Further SAR study on 11-O-substituted aporphine analogues: Identification of highly potent dopamine D3 receptor ligands Na Ye, QianQian Wu, Liyuan Zhu,Longtai Zheng,Bo Gao,Xuechu Zhen,Ao Zhang Structure 13C NMR 碳谱模拟图 23 . N-(3-(4-(2-methoxyphenyl)piperazin-1-yl)propyl)-N-(3-(N-propylnoraporphin-11-yloxy)-propyl)methanesulfonamide C37H50N4O4S 相似度:50% Bioorganic & Medicinal Chemistry 2011 19 1999-2008 Further SAR study on 11-O-substituted aporphine analogues: Identification of highly potent dopamine D3 receptor ligands Na Ye, QianQian Wu, Liyuan Zhu,Longtai Zheng,Bo Gao,Xuechu Zhen,Ao Zhang Structure 13C NMR 碳谱模拟图 24 . longicaudatine Z 相似度:50% Phytochemistry 1988 27 3293-3304 Alkaloids from roots of Strychnos matopensis Georges Massiot,Bernard Massoussa,Marie-José Jacquier,Philippe Thépénier,Louisette Le Men-Olivier,Clément Delaude,Robert Verpoorte Structure 13C NMR 碳谱模拟图 25 . compound 2 C33H42O13 相似度:50% Phytochemistry 1980 19 2421-2425 Limonoids from the seed of the natal mahogany, Trichilia dregeana Dulcie A. Mulholland, David A.H. Taylor Structure 13C NMR 碳谱模拟图 26 . Chaetoglobosin V C32H38N2O3 相似度:50% Archives of Pharmacal Research 2010 33 1135-1141 Cytotoxic 10-(indol-3-yl)-[13]cytochalasans from the fungus Chaetomium elatum ChE01 Santi Thohinung, Somdej Kanokmedhakul, Kwanjai Kanokmedhakul, Veerapol Kukongviriyapan and Ornanong Tusskorn, et al. Structure 13C NMR 碳谱模拟图 27 . fijianolide A C31H44NO8 相似度:50% Journal of Natural Products 2011 74 2545-2555 Natural Product Libraries to Accelerate the High-Throughput Discovery of Therapeutic Leads Tyler A. Johnson, Johann Sohn, Wayne D. Inman, Samarkand A. Estee, Steven T. Loveridge, Helene C. Vervoort, Karen Tenney, Junke Liu, Kenny Kean-Hooi Ang, Joseline Ratnam, Walter M. Bray, Nadine C. Gassner, Young Y. Shen, R. Scott Lokey, James H. McKerrow, Kyria Boundy-Mills, Arif Nukanto, Atit Kanti, Heddy Julistiono, Leonardus B. S. Kardono, Leonard F. Bjeldanes, and Phillip Crews Structure 13C NMR 碳谱模拟图 28 . 32-O-Methylkijanolide 相似度:50% Journal of the Chemical Society, Perkin Transactions 1 1983 1497-1534 Kijanimicin. Part 3. Structure and absolute stereochemistry of kijanimicin Alan K. Mallams, Mohindar S. Puar, Randall R. Rossman, Andrew T. McPhail, Ronald D. Macfarlane and Richard L. Stephens Structure 13C NMR 碳谱模拟图 29 . (1S,2R,5S)-5-methyl-2-[1-meth-yl-1-(2-naphthyl)ethyl]cyclohexyl (1S,4R)-6-(6-chloro-3-pyridyl)-2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate 相似度:50% The Journal of Organic Chemistry 1998 63 8397-8406 Total Synthesis of (−  -Epibatidine Using an Asymmetric Diels−Alder Reaction with a Chiral N-Acylnitroso DienophileSakae Aoyagi, Ryuta Tanaka, Masaichi Naruse, and Chihiro Kibayashi Structure 13C NMR 碳谱模拟图 30 . Ts-Tyr-Oxd-Trp-PheNH2 C40H40N6O9S 相似度:50% European Journal of Organic Chemistry 2011 4925-4930 Synthesis of Constrained Peptidomimetics Containing 2-Oxo-1,3-oxazolidine-4-carboxylic Acids Luca Gentilucci, Alessandra Tolomelli, Rossella De Marco, Claudia Tomasini and Sören Feddersen Structure 13C NMR 碳谱模拟图 31 . cytochalasin B 相似度:50% Natural Toxins 1996 4 53-57 Cytochalasin W, a new 24-oxa[14]cytochalasan from phoma exigua var. heteromorpha (pages 53–57) Antonio Evidente, Renato Capasso, Maurizio Vurro and Antonio Bottalico Structure 13C NMR 碳谱模拟图 32 . iriomoteolide-5a C31H52O7 相似度:50% Heterocycles 2013 87 2615-2623 Iriomoteolides-4A and -5A, Hydrophilic Macrolides from Marine Dinoflagellate Amphidinium species Keiko Kumagai,* Masashi Tsuda,* Eri Fukushi, and Jun Kawabata Structure 13C NMR 碳谱模拟图 33 . bridged chaetoglobosin C34H40N2O5 相似度:50% Spectroscopy 2003 17 725-734 New chaetoglobosins from maize infested by Phomopsis leptostromiformis fungi.Production, identification, and semi-synthesis Ludovic Burlot, Jean-Claude Cherton∗, Odile Convert, Isabelle Correia and Bruno Dennetiere Structure 13C NMR 碳谱模拟图 34 . spiro[5'.3'']oxindole-spiro[6'.16]-7'-(4-N,N-dimethylphenyl)tetrahydro-1H-pyrrolo[1',2'-c][1',3']thiazolo estrone C38H41N3O3S 相似度:50% Steroids 2014 82 29-37 Synthesis of novel 16-spiro steroids: 7-(Aryl)tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazolo estrone hybrid heterocycles Veerappan Jeyachandran, Sundaravel Vivek Kumar, Raju Ranjith Kumar Structure 13C NMR 碳谱模拟图 35 . (2S,4S,5S,7S)-5-Amino-N-(3-butyramido-2,2-dimethylpropyl)-4-hydroxy-2-isopropyl-7-(4-methoxy-3-(3-methoxypropoxy) benzyl)-8-methylnonanamide C34H61N3O6 相似度:50% Bioorganic & Medicinal Chemistry 2011 19 4238-4249 Synthesis, biological evaluation and docking studies of octane-carboxamide based renin inhibitors with extended segments toward S3' site of renin Yong Wu, Chen Shi, Xiaowei Sun, Xiaoming Wu, Hongbin Sun Structure 13C NMR 碳谱模拟图 36 . (2S,4S,5S,7S)-5-Amino-N-(2,2-dimethyl-3-pivalamidopropyl)-4-hydroxy-2-isopropyl-7-(4-methoxy-3-(3-methoxypropoxy)benzyl)-8-methylnonanamide C31H63N3O6 相似度:50% Bioorganic & Medicinal Chemistry 2011 19 4238-4249 Synthesis, biological evaluation and docking studies of octane-carboxamide based renin inhibitors with extended segments toward S3' site of renin Yong Wu, Chen Shi, Xiaowei Sun, Xiaoming Wu, Hongbin Sun Structure 13C NMR 碳谱模拟图 37 . (2S,4S,5S,7S)-5-Amino-N-(2,2-dimethyl-3-(4-methylphenylsulfonamido) propyl)-4-hydroxy-2-isopropyl-7-(4-methoxy-3-(3-methoxypropoxy)benzyl)-8-methylnonanamide C37H61N3O7S 相似度:50% Bioorganic & Medicinal Chemistry 2011 19 4238-4249 Synthesis, biological evaluation and docking studies of octane-carboxamide based renin inhibitors with extended segments toward S3' site of renin Yong Wu, Chen Shi, Xiaowei Sun, Xiaoming Wu, Hongbin Sun Structure 13C NMR 碳谱模拟图 38 . 3-methoxy-17α-[3'-(2''-methyl)phenylisoxazol-5'-yl]estra-1,3,5(10)-trien-17β-ol C29H33NO3 相似度:50% Steroids 2012 77 1075-1085 Synthesis, characterization and biological evaluation of some novel 17-isoxazoles in the estrone series Dóra Kovács, Zalán Kádár, Gergő Mótyán, Gyula Schneider, János Wölfling, István Zupkó, éva Frank Structure 13C NMR 碳谱模拟图 39 . Cryptophycin A C35H43ClN2O8 相似度:50% Journal of the American Chemical Society 1994 116 4729-4737 Total Structures of Cryptophycins, Potent Antitumor Depsipeptides from the Blue-Green Alga Nostoc sp. Strain GSV 224 Golakoti Trimurtulu, Ikuko Ohtani, Gregory M. L. Patterson, Richard E. Moore, Thomas H. Corbett, Frederick A. Valeriote, Lisa Demchik Structure 13C NMR 碳谱模拟图 40 . Cryptophycin-50 C34H41ClN2O8 相似度:50% Journal of the American Chemical Society 1995 117 12030-12049 Structure determination, conformational analysis, chemical stability studies, and antitumor evaluation of the cryptophycins. Isolation of 18 new analogs from Nostoc sp. strain GSV 224 Trimurtulu Golakoti, Junichi Ogino, Carl E. Heltzel, Trang Le Husebo, Craig M. Jensen, Linda K. Larsen, Gregory M. L. Patterson, Richard E. Moore, Susan L. Mooberry, Structure 13C NMR 碳谱模拟图 41 . Cryptophycin-65 相似度:50% Journal of the American Chemical Society 1995 117 12030-12049 Structure determination, conformational analysis, chemical stability studies, and antitumor evaluation of the cryptophycins. Isolation of 18 new analogs from Nostoc sp. strain GSV 224 Trimurtulu Golakoti, Junichi Ogino, Carl E. Heltzel, Trang Le Husebo, Craig M. Jensen, Linda K. Larsen, Gregory M. L. Patterson, Richard E. Moore, Susan L. Mooberry, Structure 13C NMR 碳谱模拟图 42 . compound 7 相似度:50% Journal of the American Chemical Society 1981 103 3940-3943 Kijanimicin. 2. Structure and absolute stereochemistry of kijanimicin Alan K. Mallams, Mohindar S. Puar, Randall R. Rossman, Andrew T. McPhail, Ronald D. Macfarlane Structure 13C NMR 碳谱模拟图 43 . 1-(3β-hydroxy-pregn-5-ene-20-ylidene)-3-amino-5-(4-metho xy)-pyrazol-4-yl)-carbahydrazone) C32H43N5O3 相似度:50% Steroids 2012 77 1551-1559 Reaction of pregnenolone with cyanoacetylhydrazine: Novel synthesis of hydrazide–hydrazone, pyrazole, pyridine, thiazole, thiophene derivatives and their cytotoxicity evaluations Rafat M. Mohareb, Fatima Al-Omran Structure 13C NMR 碳谱模拟图 44 . 13Z,17E-Globostellatic acid X methyl ester C33H46O5 相似度:50% Bioorganic & Medicinal Chemistry 2007 15 4818-4828 Novel isomarabarican triterpenes, exhibiting selective anti-proliferative activity against vascular endothelial cells, from marine sponge Rhabdastrella globostellata Shunji Aoki, Mami Sanagawa, Yasuo Watanabe, Andi Setiawan, Masayoshi Arai, Motomasa Kobayashi Structure 13C NMR 碳谱模拟图 45 . (16R,5'R,7'R,7a'R)-Spiro[5'.2'']acenaphthylene-1''-onespiro[16.6']-7'-(4-chlorophenyl)-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazolo-trans-androsterone C41H44BrNO3S 相似度:50% Steroids 2013 78 409-417 Synthesis of novel 16-spiro steroids: Spiro-70-(aryl)tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazolo-trans-androsterone hybrid heterocycles Selvaraj Kanchithalaivan, Raju Ranjith Kumar ⇑, Subbu Perumal Structure 13C NMR 碳谱模拟图 46 . chaetoglobosin S 相似度:50% Chirality 2012 24 668-674 Chaetoglobosin Vb from Endophytic Chaetomium Globosum: Absolute Configuration of Chaetoglobosins Min Xue, Qiang Zhang, Jin-Ming Gao, He Li, Jun-Mian Tian and Gennaro Pescitelli Structure 13C NMR 碳谱模拟图 47 . Chaetoglobosin M 相似度:50% Helvetica Chimica Acta 1988 71 1881-1884 Chaetoglobosin M, a New Metabolite of a Mutant of Diplodia macrospora, belonging to the family of (1H-indol-3-yl)-substituted 10,11-diethyl-10,11-dinorcytochalasans Christoph Spöndlin and Christoph Tamm Structure 13C NMR 碳谱模拟图 48 . Chaetoglobosin I 相似度:50% Magnetic Resonance in Chemistry 1996 34 538-544 Hemisynthesis from Chaetoglobosin M. I—Obtention of Two New Chaetoglobosins by Intramolecular Michael Reaction Under Mild Basic Conditions L. Burlot, J.-C. Cherton, O. Convert, C. Larpent, B. Dennetiere and F. Dardoize Structure 13C NMR 碳谱模拟图 49 . Chaetoglobosin S 相似度:50% Magnetic Resonance in Chemistry 1996 34 538-544 Hemisynthesis from Chaetoglobosin M. I—Obtention of Two New Chaetoglobosins by Intramolecular Michael Reaction Under Mild Basic Conditions L. Burlot, J.-C. Cherton, O. Convert, C. Larpent, B. Dennetiere and F. Dardoize Structure 13C NMR 碳谱模拟图 50 . 9-Benzyl-4',8-dimethyl-1',2-ditosyl-1,1',2,3,5',9-hexahydrospiro[pyrido[3,4-b]indole-4,2'-pyrrole] C37H37N3O4S2 相似度:50% Tetrahedron 2014 70 702-707 Gold(I)-catalyzed rearrangement of alkynylaziridine indoles for the synthesis of spiro-tetrahydro-β-carbolines Yan-Fang Yang, Lian-Hua Li, Yu-Tao He, Jian-Yi Luo, Yong-Min Liang Structure 13C NMR 碳谱模拟图 |
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