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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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化合物6 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 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 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136个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . Methoxyhydnocarpin 相似度:61.5% Phytochemistry 1979 18 506-508 13C NMR of flavonolignans from Hydnocarpus wightiana M. R. Parthasarathy, K. R. Ranganathan, D. K. Sharma Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . hispidulin-8-C-(2''-O-syringoyl)-β-glucopyranoside C31H30O15 相似度:61.5% Helvetica Chimica Acta 2011 94 38-45 Flavone 8-C-Glycosides from Haberlea rhodopensisFriv. (Gesneriaceae) Samad N. Ebrahimi, Frank Gafner, Giorgio Dell'Acqua, Kuno Schweikert and Matthias Hamburger Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . (-)-(7''R,8''S)-4'',5,7-Trihydroxy-3',3'',5'-trimethoxy-4',8''-oxyflavonolignan-7'',9''-diol 相似度:61.5% Journal of Natural Products 2011 74 1188-1200 Lignans and Neolignans from Sinocalamus affinis and Their Absolute Configurations Liang Xiong, Chenggeng Zhu, Yanru Li, Ye Tian, Sheng Lin, Shaopeng Yuan, Jinfeng Hu, Qi Hou, Naihong Chen, Yongchun Yang, and Jiangong Shi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . palstatin C27H24O11 相似度:60% Journal of Natural Products 2003 66 259-262 Isolation and Structure of Palstatin from the Amazon Tree Hymeneae palustris George R. Pettit, Yanhui Meng, Clare A. Stevenson, Dennis L. Doubek, John C.Knight, Zbigniew Cichacz, Robin K. Pettit, Jean-Charles Chapuis, and Jean M. Schmidt Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . tricin 4'-O-(erythro-β-guaiacylglyceryl)ether 相似度:60% China Journal of Chinese Materia Medica 2010 35 1827-1830 Flavonoids from Artemisia anomala WEN Jing; SHI Haiming; LIU Yanfang; ZAN Ke; ZHOU Yuhong; CHEN Yuping; TU Pengfei Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . 5'-methoxyhydnocarpin-D C26H22O10 相似度:57.6% Journal of Natural Products 2000 63 1146-1149 5'-Methoxyhydnocarpin-D and Pheophorbide A: Berberis Species Components that Potentiate Berberine Growth Inhibition of Resistant Staphylococcus aureus Frank R. Stermitz,Jeanne Tawara-Matsuda, Peter Lorenz, Paul Mueller, Lauren Zenewicz, and Kim Lewis Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . lycopodone C27H24O11 相似度:57.6% Heterocycles 2005 65 661-666 A New Flavone from Lycopodium japonicum Jian Yan, Lirong Sun, Xianming Zhang, and Minghua Qiu* Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . Isoscoparin-2''-β-D-glucopyranoside 相似度:57.1% Chemistry of Natural Compounds 2004 40 122-128 ISOLATION, STRUCTURE ELUCIDATION, AND BIOLOGICAL ACTIVITY OF FLAVONE 6-C-GLYCOSIDES FROM Alliaria petiolata Y. Kumarasamy, M. Byres, P. J. Cox, A. Delazar,M. Jaspars, L. Nahar, M. Shoeb, and S. D. Sarker Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . 1-5'-Methoxybilobetine 相似度:56.6% Phytochemistry 1980 19 1999-2002 La 5'-méthoxybilobétine, une biflavone extraite du Ginkgo biloba Marc Joly, Micheline Haag-Berrurier, Robert Anton Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . scutellaprostin D C25H20O8 相似度:56% Chemical & Pharmaceutical Bulletin 1991 39 1466-1472 Studies on Nepalese Crude Drugs. XIV. New Flavonoids from the Root of Scutellaria prostrata JACQ. ex BENTH. Yuichi KIKUCHI,Yukinori MIYAICHI and Tsuyoshi TOMIMORI Structure 13C NMR 碳谱模拟图 |
8楼2012-06-23 11:07:46
【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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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