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yyllibra木虫 (正式写手)
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[求助]
求查微谱数据
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化合物1 93.9,99.0,105.7,110.7,156.8,158.3,162.6,164.2,181.7 化合物2 18.5,24.2,27.7,38.5,44.9,47.6,63.2,64.9,82.7,118.5 化合物3 43.5,60.6,79.9,95.8,96.7,103.2,103.6,114.6,115.9,119.2,120.1,131.5,146.0,146.3,164.3,165.2,167.2,197.2 化合物4 55.1,59.8,93.9,99.0,103.1,104.9,110.7,114.5,123.5,128.2,153.1,156.8,162.9,164.0,182.7 化合物5 23.2,27.4,35.8,39.3,46.3,57.4,65.8,73.7,110.4,155.9 化合物6 55.7,59.8,93.8,102.3,103.0,104.2,105.0,107.3,109.6,115.5,120.4,122.7,126.6,131.3,139.6,148.0,150.5,150.8,153.1,153.6,156.8,163.8,164.2,182.7,182.7前 搜索前十即可 |
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【答案】应助回帖
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compound3 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 43.5,60.6,79.9,95.8,96.7,103.2,103.6,114.6,115.9,119.2,120.1,131.5,146.0,146.3,164.3,165.2,167.2,197.2 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355个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . (±)-eriodictyol C15H12O6 相似度:83.3% Journal of Natural Products 1988 Vol 51 874 Metabolism of Homoorientin by Human Intestinal Bacteria Masao Hattori, Yue-Zhong Shu, Adel I. El-Sedawy, Tsuneo Namba, Kyoichi Kobashi, Tsuyoshi Tomimori Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . eriodictyol C15H12O6 相似度:83.3% Acta Pharmaceutica Sinica 2005 Vol 40 351-354 Isolation and structure identification of chemical constituents from Viscum liquidambaricolum YANG Yan-jun; LIN Jie-hong; XU Xiong-wei Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . 3',5',5,7-tetrahydroxylfavanone 相似度:83.3% Chinese Traditional and Herbal Drugs 2010 41 526-529 Flavonoids from Ficus sarmentosa var. henryi WANG Xue-gui; SHEN Li-tao; ZENG Yun-yun; TIAN Yong-qing; XU Han-hong Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . eriodictyol 相似度:83.3% Chinese Traditional and Herbal Drugs 2010 41 1065-1068 小叶忍冬藤的化学成分研究 刘伟;白素平;梁会娟;袁永亮 Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . Eriodictyol 相似度:83.3% Archives of Pharmacal Research 2006 29 1102-1108 Anti-inflammatory activity of flavonoids fromPopulus davidiana XinFeng Zhang, Tran Manh Hung, Phuong Thien Phuong, Tran Minh Ngoc and Byung-Sun Min, et al. Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . eriodictyol 相似度:83.3% Natural Product Research and Development 2011 23 253-257 Chemical Constituents from the Roots of Rhododendron spiciferum WU Zhao-yuan; LI Rong-tao Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . eriodictyol 相似度:83.3% Journal of Integrative Plant Biology 2005 47 759-763 Flavonoids from Lysidice rhodostegia Hance Song GAO, Guang-Miao FU, Li-Hua FAN, Shi-Shan YU* and De-Quan YU Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . (-)-eriodictyol C15H12O6 相似度:77.7% Helvetica Chimica Acta 2008 Vol. 91 2159 Phenolic Derivatives from Fruits of Dipteryx lacunifera Ducke and Evaluation of Their Antiradical Activities Gerardo Magela V. Júnior, Cleyton Marcos de M. Sousa, Alberto J. Cavalheiro,Joo Henrique G. Lago, and Mariana H. Chaves Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . eriodictyol C15H12O6 相似度:77.7% Natural Product Research 2007 21 283-291 Antibacterial phenolic compounds from the spines of Gleditsia sinensis Lam. Ligang Zhou; Duan Li; Jingguo Wang; Yuanshuai Liu; Jianyong Wu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . eriodictyol 相似度:77.7% Chinese Traditional and Herbal Drugs 2010 41 526-529 Flavonoids from Ficus sarmentosa var. henryi WANG Xue-gui; SHEN Li-tao; ZENG Yun-yun; TIAN Yong-qing; XU Han-hong Structure 13C NMR 碳谱模拟图 |
5楼2012-06-23 11:06:29
【答案】应助回帖
★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ...
感谢参与，应助指数 +1
karl2100: 金币+1, 多谢提供！ 2012-06-23 14:11:44
yyllibra: 金币+100, ★★★★★最佳答案, 非常感谢！！！ 2012-06-23 16:16:58
感谢参与，应助指数 +1
karl2100: 金币+1, 多谢提供！ 2012-06-23 14:11:44
yyllibra: 金币+100, ★★★★★最佳答案, 非常感谢！！！ 2012-06-23 16:16:58
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端午节快乐！ 化合物1 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 93.9,99.0,105.7,110.7,156.8,158.3,162.6,164.2,181.7 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71个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . 5,7-dihydroxychromone 相似度:100% Acta Pharmaceutica Sinica 2008 Vol 43 388-391 A new triterpenoid saponin from the fruits of Polygonum orientale YANG Zhi-yun; QIAN Shi-hui; QIN Min-jian Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . 5,7-dihydroxychromone 相似度:100% China Journal of Chinese Materia Medica 2010 35 3302-3305 Chemical constituents from flowers of Chrysanthemum indicum FENG Ziming; YANG Yanan; JIANG Jianshuang; ZHANG Peicheng Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . 5,7-dihydroxy-4H-4-chromenone 相似度:88.8% China Journal of Chinese Materia Medica 2006 31 468-471 Non-alkaloid constituents from a Tibetan medicine Meconopsis quintuplinervia SHANG Xiaoya, LI Chong, ZHANG Chengzhong, YANG Yongchun, SHI Jiangong Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . 5,7-dihydroxychromone C9H6O4 相似度:77.7% China Journal of Chinese Materia Medica 2008 33 1218-1220 Flavonoids from Aerial Parts of Arachniodes exilis ZHOU Daonian, RUAN Jinlan, CAI Yaling Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . 5,7-dihydroxychromone 相似度:77.7% Chinese Pharmaceutical Journal 2008 43 1218-1220 Flavonoids from Aerial Parts of Arachniodes exilis ZHOU Dao-nian, RUAN Jin-lan, CAI Ya-ling Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . cnidimol C C10H8O5 相似度:70% Phytochemistry 1992 31 1367-1370 Chromones from Cnidium monnieri Kimiye Baba, Hiromu Kawanishi, Masahiko Taniguchi, Mitsugi Kozawa Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . MF-1a' 相似度:66.6% Phytochemistry 2003 589-595 A “flavone-polysaccharide” redefined as a mixture of 6-methoxyluteolin penta- and hexa-O-glycosides Kenneth R. Markham Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . noreugenin 相似度:60% Planta Medica 1995 61 154-157 Heteronuclear NMR Studies of the Chromone Alkaloids and Revision of the Structure of Some Piperidino-Chromone Alkaloids PeterJ. Houghton, IbironkeM. Osibogun. TibebeZ. Woldemariam, and Keith Jones Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . 5,7-dihydroxy-2-methylchromen-4-one 相似度:60% Journal of Asian Natural Products Research 2005 7 145-149 Chemical constituents from Cimicifuga foetida PEI CAO, XU-FENG PU, SHU-LIN PENG, XIAO-RONG ZHANG and LI-SHENG DING Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . 5-hydroxy-7-methoxychromone 相似度:60% Phytochemistry 1998 49 1421-1425 Chromones and flavanones from artemisia campestris subsp. Maritima João M.J. Vasconcelos, Artur M.S. Silvα, José A.S. Cavaleiro Structure 13C NMR 碳谱模拟图 |
3楼2012-06-23 11:04:29
【答案】应助回帖
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compound 2 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 18.5,24.2,27.7,38.5,44.9,47.6,63.2,64.9,82.7,118.5 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80个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . isopinocampheol 相似度:60% Phytochemistry 1995 40 815-817 The microbiological hydroxylation of some pinane monoterpenoids by Cephalosporium aphidicola Afgan Farooq, James R. Hanson Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . 4-hydroxymethyl-1,1-dimethyl-3,3a,4,6a-tetrahydrocyclopenta[c]furan 相似度:60% Heterocycles 2006 68 271-282 Formal Synthesis of (±)-Hop ether, (±)-Isoboonein and (±)-Iridomyrmecin Meng-Yang Chang,* Chun-Yu Lin, Bor-Fng Chen, and Nein-Chen Chang* Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . tetrapivaloyloxymethyl 2,8-dimethylnona-2,7-diene-5,5-diyldiphosphonate C35H63O14P2 相似度:60% Bioorganic & Medicinal Chemistry 2008 16 3652-3660 Pivaloyloxymethyl-modified isoprenoid bisphosphonates display enhanced inhibition of cellular geranylgeranylation Andrew J. Wiemer, Jose S. Yu, Larry W. Shull, Rocky J. Barney, Brian M. Wasko, Kimberly M. Lamb, Raymond J. Hohl, David F. Wiemer Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . compound 2 相似度:60% Organic Magnetic Resonance 1984 22 738-740 1H and 13 NMR data of 1,2-epoxymenthane derivatives Eszter Gács-Baitz, György Kalaus and Péter Györy Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . (2S,3S,5R)-5-Allyl-2-[(tert-butyldimethylsilyloxy)methyl]-5-methyltetrahydrofuran-3-ol C15H30O3Si 相似度:58.3% European Journal of Organic Chemistry 2012 1753-1758 A Carbohydrate-Based Synthesis of the C13–C22 Fragment of Amphidinolide X Mukund K. Gurjar, Gorakh S. Yellol and Debendra K. Mohapatra Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . (2S,3R,5R)-5-Allyl-2-[(tert-butyldimethylsilyloxy)methyl]-5-methyltetrahydrofuran-3-ol C15H30O3Si 相似度:58.3% European Journal of Organic Chemistry 2012 1753-1758 A Carbohydrate-Based Synthesis of the C13–C22 Fragment of Amphidinolide X Mukund K. Gurjar, Gorakh S. Yellol and Debendra K. Mohapatra Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . compound 10 C11H20O5 相似度:54.5% Journal of Natural Products 2000 63 592-595 Conversion of the Iridoid Glucoside Antirrhinoside into 3-Azabicyclo[3.3.0]octane Building Blocks Henrik Franzyk, Signe M. Frederiksen, and Søren Rosendal Jensen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . 2-(1,1-dimethyl-hexahydro-1H-cyclopenta[c]furan-4-yl)acetaldehyde C11H18O3 相似度:54.5% Heterocycles 2006 68 771-777 A Total Synthesis of (±)-Hop Ether Ching-Han Lin, Yi-Lin Su, and Huo-Mu Tai* Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . Cycloheptenone C11H16O 相似度:54.5% Tetrahedron 2011 67 10234-10248 Palladium-catalyzed asymmetric alkylation in the synthesis of cyclopentanoid and cycloheptanoid core structures bearing all-carbon quaternary stereocenters Allen Y. Hong, Nathan B. Bennett, Michael R. Krout, Thomas Jensen, Andrew M. Harned, Brian M. Stoltz Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . compound 5 相似度:53.3% Phytochemistry 1993 34 1561-1564 Sesquiterpene lactones from iranian Artemisia species J.Alberto Marco, Juan F. Sanz-cervera, E. Manglano, F. Sancenon, A. Rustaiyan, M. Kardar Structure 13C NMR 碳谱模拟图 |
4楼2012-06-23 11:04:59
【答案】应助回帖
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化合物5 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 23.2,27.4,35.8,39.3,46.3,57.4,65.8,73.7,110.4,155.9 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60个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . compound 8 C13H23NO5 相似度:60% Tetrahedron Letters 2000 41 9537-9540 Rapid syntheses of either enantiomer of important carbocyclic nucleoside precursors Brock T. Shireman, Marvin J. Miller Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . compound 2/4 C12H14ClN5O 相似度:60% Journal of Heterocyclic Chemistry 2003 40 813-820 On triazoles XLVII. Synthesis of 1,3a,5,6,ωc-pentaazacycloalka[e]acenaphthylenes Gábor Berecz and József Reiter Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . 4-Acetamidomethyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl-1,2,3-triazole C10H16N4O3 相似度:60% Molecules 2010 15 3087-3120 Automated Synthesis of a 96 Product-Sized Library of Triazole Derivatives Using a Solid Phase Supported Copper Catalyst Ibtissem Jlalia, Claire Beauvineau, Sophie Beauvière, Esra Önen, Marie Aufort, Aymeric Beauvineau, Eihab Khaba, Jean Herscovici, Faouzi Meganem and Christian Girard Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . 4-(tert-Butoxycarbonylamino)methyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl-1,2,3-triazole C14H24N4O4 相似度:60% Molecules 2010 15 3087-3120 Automated Synthesis of a 96 Product-Sized Library of Triazole Derivatives Using a Solid Phase Supported Copper Catalyst Ibtissem Jlalia, Claire Beauvineau, Sophie Beauvière, Esra Önen, Marie Aufort, Aymeric Beauvineau, Eihab Khaba, Jean Herscovici, Faouzi Meganem and Christian Girard Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . (±)-6-(Furan-2-yl)hex-1,2,6-triol C10H16O4 相似度:60% Archiv der Pharmazie 2005 338 44-48 Synthesis of New Lipophilic Ipomeanol Analogues and Their Cytotoxic Activities Jürgen Krauss and Doris Unterreitmeier Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . galantinamic acid C10H22N2O5 相似度:60% Bulletin of the Chemical Society of Japan 1988 61 1422-1424 The Structure of Galantinamic Acid, a New Amino Acid in a Peptide Antibiotic Galantin I Tateaki Wakamiya, Shin-ichi Terashima, Mitsuyasu Kawata, Tadashi Teshima, Tetsuo Shiba Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . 4-(tert-butoxycarbonyl)amino-2,2,6-trimethyl-3-oxoheptanoic Acid 相似度:54.5% Journal of Natural Products 2007 70 1073-1083 Antineoplastic Agents. 561. Total Synthesis of Respirantin George R. Pettit,Thomas H. Smith, Song Feng, John C. Knight, Rui Tan, Robin K. Pettit, and Peter A. Hinrichs Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . compound 11 相似度:54.5% Tetrahedron Letters 2000 41 3959-3962 Bis(1,3-dihydroxy-isopropyl)amine (BDI) as an AB4 dendritic building block: rapid synthesis of a second generation dendrimer David A. Scott, Thomas M. Krülle, Malcolm Finn, George W. J. Fleet Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . 5,5-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-8-ol C11H18O2 相似度:54.5% Heterocycles 2006 68 771-777 A Total Synthesis of (±)-Hop Ether Ching-Han Lin, Yi-Lin Su, and Huo-Mu Tai* Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . 2-(1,1-dimethyl-hexahydro-1H-cyclopenta[c]furan-4-yl)acetaldehyde C11H18O3 相似度:54.5% Heterocycles 2006 68 771-777 A Total Synthesis of (±)-Hop Ether Ching-Han Lin, Yi-Lin Su, and Huo-Mu Tai* Structure 13C NMR 碳谱模拟图 |
7楼2012-06-23 11:07:21