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dsz200200金虫 (正式写手)
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[求助]
微谱数据求助 急毕业
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化合物7：15.4, 24.3, 33.6, 57.3, 57.7, 63.2, 73.0, 76.9, 87.8, 89.9, 94.8, 107.1, 112.1, 116.6, 121.1, 129.3, 135.1, 149.4 化合物5:51.0, 55.3, 57.3, 57.4, 72.3, 85.4, 112.1, 113.3, 116.5, 121.4, 125.4, 131.3, 135.3, 149.5, 153.5. 化合物4:16.8,18.3,22.8,22.9,24.5,27.8,28.2,28.531.4,32.0,33.8,36.7,37.3,38.2,41.4,43.1,51.5,52.6,61.4,69.5,74.1,75.7,75.7,77.6,85.3,86.9,99.5,118.2,177.6,178.8. |
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2楼2012-09-17 12:39:39
lifeliuyan
至尊木虫 (职业作家)
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3楼2012-09-17 12:50:06
lifeliuyan
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化合物5： 查询结果：共查到116个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . 3,7-Dimethoxy-4-methyl-5H-indeno[1,2-b]pyridin-5-ol 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 -------------------------------------------------------------------------------- 2 . Vladinol D C20H22O7 相似度:65% Acta Botanica Yunnanica 2004 26(2) 229-233 Lignans from Tsuga dumosa ZHAO You-Xing,LUO Xiao-Dong,ZHOU Jun Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . evofolin B C17H18O6 相似度:64.7% Chinese Journal of Medicinal Chemistry 2009 19 55-58 Chemical constituents of Paeonia albiflora DUAN Wen-juan, JIANG Yan, JIN Xin, QIN Geng-yao, QIU Feng Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . 2-(tert-butyldiphenylsilyloxymethyl)-4-methoxyphenol C24H28O3Si 相似度:60% Chemical & Pharmaceutical Bulletin 2009 57 252-256 Catalytic Hypervalent Iodine Oxidation Using 4-Iodophenoxyacetic Acid and Oxone®: Oxidation of p-Alkoxyphenols to p-Benzoquinones Takayuki Yakura, Yuan Tian, Yû Yamauchi, Masanori Omoto and Tatsuya Konishi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . 2-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-3H-imidazo[4,5-b]pyridine C17H19N3O3 相似度:60% Heterocycles 2005 65 2189-2194 Preparation of 1-Alkyl-2-aryl-1H-imidazo[4,5-b]pyridines from 2-Alkylamino-3-aminopyridines and Aromatic Aldehydes Using Air as an Oxidant Mikhail Krasavin,* Vladimir V. Kobak, Tatiana Y. Bondarenko, and Dmitry V. Kravchenko Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . Compound 4e C20H24N4 相似度:60% Bioorganic & Medicinal Chemistry Letters 2001 11 2533-2536 Benzamide bioisosteres incorporating dihydroheteroazole substructures: EPC synthesis and SAR leading to a selective dopamine D4 receptor partial agonist (FAUC 179) Jürgen Einsiedel, Harald Hübner, Peter Gmeiner Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . 2-(1Z)-(3-hydroxy-3,7-dimethylocta-1,6-dienyl)-1,4-dimethoxybenzene C16H22O3 相似度:60% Natural Product Research 2010 24 440-447 A short and facile synthesis of 2-(1Z)-(3-hydroxy-3,7-dimethylocta-1,6-dienyl)-1,4-benzenediol and 1-(3'-methoxypropanoyl)-2,4,5-trimethoxybenzene isolated from Cordia alliodora Sukhbir Kaur; Vasundhara Singh; Gulshan Kumar; G. L. Kad; Jasvinder Singh Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . 3-(3,4-Dimethoxyphenyl)-1-(4-hydroxyphenyl)-1-propanone 相似度:60% Bioorganic & Medicinal Chemistry 1998 6 1309-1335 Synthesis and activity of bivalent FKBP12 ligands for the regulated dimerization of proteins Terence Keenan, David R. Yaeger, Nancy L. Courage, Carl T. Rollins, Mary Ellen Pavone, Victor M. Rivera, Wu Yang, Tao Guo, Jane F. Amara, Tim Clackson, Michael Gilman, Dennis A. Holt Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . 2-(4-Hydroxy-3-methoxyphenyl)-3-(2-hydroxy-5-methoxyphenyl)-3-oxo-1-propanol C17H18O6 相似度:58.8% Bulletin of the Korean Chemical Society 2007 28 1261-1264 Isoetin 5'-Methyl Ether, A Cytotoxic Flavone from Trichosanthes kirilowii Md. Aziz Abdur Rahman, Surk-Sik Moon* Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . 2-[2,5-Dimethoxy-4-(3-methoxyphenyl)phenyl]ethylamine Hydrochloride 相似度:56.2% Chemistry & Biodiversity 2009 6 692-704 4-Aryl-Substituted 2,5-Dimethoxyphenethylamines: Synthesis and Serotonin 5-HT2A Receptor Affinities Daniel Trachsel, David E. Nichols and Stephanie Kidd, Marcel Hadorn and Franz Baumberger Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . evofolin B 相似度:56.2% Chinese Traditional and Herbal Drugs 2010 41 539-541 山石榴的化学成分研究(Ⅱ) 高广春;陶曙红;漆淑华;张偲;李庆欣 Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . 3-(3,4-dimethoxyphenethyl)thieno[3,2-b]pyrimidine-2,4(1H,3H)-dione C16H16N2O4S 相似度:56.2% Heterocycles 2002 57 1461-1470 Controlled Synthesis of Electron Deficient Nitro-1H-benzotriazoles Callum J. McHugh, Daniel R. Tackley, and Duncan Graham* Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . 5-methoxy-N,N-dimethyl-2-(2-nitro-4-toloxy)benzyl-amine 相似度:56.2% Bioorganic & Medicinal Chemistry 2010 18 236-241 Synthesis and in vitro evaluation of fluorinated diphenyloxide derivatives and sulfur analogs as serotonin transporter ligands Sylvie Mavel, Nathalie Meheux, Denis Guilloteau, Patrick Emond Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . 7-hydroxy-9,10-dimethoxy-2-trifluoromethylpyrido[2,1-a]isoquinolinylium bromide C16H13BrF3NO3 相似度:56.2% European Journal of Organic Chemistry 2011 619-628 Radical Intramolecular Arylation of Pyridinium Salts: A Straightforward Entry to 7-Hydroxypyrido[2,1-a]isoquinolinylium Salts Rafael R. Castillo, Carolina Burgos, Juan J. Vaquero and Julio Alvarez-Builla Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . threo-guaiacylglycerol 8'-vanillic acid ether C18H20O8 相似度:55.5% Phytochemistry 1995 40 257-261 Hydroxybenzoic acids from Boreava orientalis Akiyo Sakushima, Maksut Cokun, Takashi Maoka Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . 3-(3,4-dimethoxyphenethyl)quinazoline-2,4(1H,3H)-dione C18H18N2O4 相似度:55.5% Heterocycles 2002 57 1461-1470 Controlled Synthesis of Electron Deficient Nitro-1H-benzotriazoles Callum J. McHugh, Daniel R. Tackley, and Duncan Graham* Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . 3-(2-methoxyphenyl)-6-(3,4-dimethoxyphenyl)-7H-[1,2,4]-triazolo-[3,4-b]-[1,3,4]-thiadiazine C19H18N4O3S 相似度:55.5% Bioorganic & Medicinal Chemistry Letters 2008 18 1297-1303 Identification of a potent new chemotype for the selective inhibition of PDE4 Amanda P. Skoumbourdis, Ruili Huang, Noel Southall, William Leister, Vicky Guo, Ming-Hsuang Cho, James Inglese, Marshall Nirenberg, Christopher P. Austin, Menghang Xia, Craig J. Thomas Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . urticene C20H20O6 相似度:55% Chinese Chemical Letters 2008 19 1212-1214 Two new secolignans from the roots of Urtica mairei Levi. Wei Wang, Xing Guo Yan, Li Xin Duan, Yuan Zhou, Ling Tang, Yong Qi Wang, Bao Min Feng Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . 8,9-epoxy-lariciresinol C20H22O6 相似度:55% Chemical & Pharmaceutical Bulletin 2009 57 1129-1131 Four New Lignans from Viburnum foetidum var. foedidum Xuan-Qin Chen, Yan Li, Juan He, Kou Wang, Ming-Ming Li, Zheng-Hong Pan, Li-Yan Peng, Xiao Cheng and Qin-Shi Zhao Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . (-)-berchemol C20H24O7 相似度:55% Journal of Natural Medicines 2007 61 269-279 The chemical constituents of fresh Gentian Root Hidehiro Ando, Yasuaki Hirai, Mikio Fujii, Yumiko Hori and Motonori Fukumura, et al. Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 21 . (2R, 3S, 4S)-4-(4-hydroxy-3-methoxybenzyl)-2-(5-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-tetrahydrofuran-3-ol C20H24O7 相似度:55% Phytochemistry 2010 71 682-687 Chemical constituents from Saussurea cordifolia Xu-Wen Li, Zi-Tao Guo, Yun Zhao, Zheng Zhao, Jin-Feng Hu Structure 13C NMR 碳谱模拟图 |
4楼2012-09-17 12:51:28
lifeliuyan
至尊木虫 (职业作家)
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【答案】应助回帖
★ ★
jiangchunyong: 金币+2, 谢谢 2012-09-18 12:33:01
jiangchunyong: 金币+2, 谢谢 2012-09-18 12:33:01
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化合物4 这个化合物可真是查的纠结 输入十次都是格式错误 我就纳闷了 结果是您老忘了个逗号 可把我害惨了 查询结果：共查到3539个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . digitoxigenin-3-O-β-D-glucomethylosid 相似度:83.3% Planta Medica 1983 49 74-78 New Cardiac Glycosides from Digitalis lanata Dagmar Kruger, Peter Junior, Max Wichtl Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . digitoxigenin-β-D-digitoxosid 相似度:83.3% Planta Medica 1983 49 74-78 New Cardiac Glycosides from Digitalis lanata Dagmar Kruger, Peter Junior, Max Wichtl Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . evatromonoside 相似度:83.3% Phytochemistry 1998 49 2097-2101 Cardenolide glycosides from seeds of Corchorus olitorius Takatoshi Nakamurα, Yukihiro Godα, Shinobu Sakai, Kazunari Kondo, Hiroshi Akiyamα, Masatake Toyoda Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . glucoevatromonoside 相似度:80% Phytochemistry 1998 49 2097-2101 Cardenolide glycosides from seeds of Corchorus olitorius Takatoshi Nakamurα, Yukihiro Godα, Shinobu Sakai, Kazunari Kondo, Hiroshi Akiyamα, Masatake Toyoda Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . deglucocoroloside 相似度:80% Phytochemistry 1998 49 2097-2101 Cardenolide glycosides from seeds of Corchorus olitorius Takatoshi Nakamurα, Yukihiro Godα, Shinobu Sakai, Kazunari Kondo, Hiroshi Akiyamα, Masatake Toyoda Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . digitoxigenin β-D-glucoside C29H44O9 相似度:80% Phytochemistry 1990 29 837-843 Biotransformation of digitoxigenin by ginseng hairy root cultures Kiichiro Kawaguchi,Masao Hirotani,Takafumi Yoshikawa,Tsutomu Furuya Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . digitoxigenin-3-O-β-D-digitoxosido-β-D-xylosid 相似度:79.4% Planta Medica 1984 50 267-269 New Cardiac Glycosides from Digitalis lanata Dagmar Kruger, Max Wichtl Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . 3-O-(β-glucopyranosyl)acovenosigenin C29H44O10 相似度:76.6% Chemistry & Biodiversity 2007 Vol. 4 998 Cytotoxic Cardenolides from Streptocaulon griffithii Xiao-Hui Zhang, Hui-Lin Zhu, Qiang Yu, and Li-Jiang Xuan Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . Frugoside 相似度:76.6% Helvetica Chimica Acta 2005 Vol. 88 2781 Cardenolides and Cardiac Aglycone from the Stem Bark of Trewia nudiflora Qian-Jin Kang, Pei-Ji Zhao, Hong-Ping He, and Yue-Mao Shen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . digitoxigenin gentiobioside C35H54O14 相似度:74.2% Journal of Natural Products 2003 66 1427-1433 Constituents of the Vietnamese Medicinal Plant Streptocaulon juventas and Their Antiproliferative Activity against the Human HT-1080 Fibrosarcoma Cell Line Jun-ya Ueda, Yasuhiro Tezuka,Arjun H. Banskota,Quan Le Tran,Qui Kim Tran, Ikuo Saiki, and Shigetoshi Kadota Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . coroloside 相似度:74.2% Phytochemistry 1998 49 2097-2101 Cardenolide glycosides from seeds of Corchorus olitorius Takatoshi Nakamurα, Yukihiro Godα, Shinobu Sakai, Kazunari Kondo, Hiroshi Akiyamα, Masatake Toyoda Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . (17α)-Asclepioside 相似度:73.3% Helvetica Chimica Acta 2005 Vol. 88 2781 Cardenolides and Cardiac Aglycone from the Stem Bark of Trewia nudiflora Qian-Jin Kang, Pei-Ji Zhao, Hong-Ping He, and Yue-Mao Shen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . acovenosidgenin A 3-α-L-rhamnopyranoside C29H44O9 相似度:73.3% Chemical & Pharmaceutical Bulletin 1996 44 615-617 Cytotoxic Cardenolides from Woods of Euonymus alata Susumu KITANAKA,Michio TAKIDO,Kazutoshi MIZOUE and Shiro NAKAIKE Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . cerdollaside C30H46O9 相似度:73.3% Chemical & Pharmaceutical Bulletin 1987 35 2744-2749 Cardenolide Monoglycosides from the Leaves of Cerbera odollam and Cerbera manghas (Cerbera. III) TATSUO YAMAUCHI,FUMIKO ABE and ALFRED S.C. WAN Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . 3-epidigitoxigenin β-D-glucoside C29H44O9 相似度:73.3% Phytochemistry 1990 29 837-843 Biotransformation of digitoxigenin by ginseng hairy root cultures Kiichiro Kawaguchi,Masao Hirotani,Takafumi Yoshikawa,Tsutomu Furuya Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . periplogenin digitoxoside 相似度:73.3% Chinese Pharmaceutical Journal 2007 42 420-422 Studies on Chemical Constituents of Streptocaulon griffithii ZHANG Lin, WANG Ye-fei, XU Li-zhen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . euonymuside A C35H54O14 相似度:71.4% Chemical & Pharmaceutical Bulletin 1996 44 615-617 Cytotoxic Cardenolides from Woods of Euonymus alata Susumu KITANAKA,Michio TAKIDO,Kazutoshi MIZOUE and Shiro NAKAIKE Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . digitoxigenin β-D-sophoroside 相似度:71.4% Phytochemistry 1990 29 837-843 Biotransformation of digitoxigenin by ginseng hairy root cultures Kiichiro Kawaguchi,Masao Hirotani,Takafumi Yoshikawa,Tsutomu Furuya Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . rhodexin A C29H44O9 相似度:70% Planta Medica 1995 61 162-166 The Cardenolides of Speirantha con vallarioides Guido F. Pauli Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . corchoroside A 相似度:70% Phytochemistry 1998 49 2097-2101 Cardenolide glycosides from seeds of Corchorus olitorius Takatoshi Nakamurα, Yukihiro Godα, Shinobu Sakai, Kazunari Kondo, Hiroshi Akiyamα, Masatake Toyoda Structure 13C NMR 碳谱模拟图 |
5楼2012-09-17 12:57:32