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yaoxue1122金虫 (小有名气)
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[求助]
求查微谱数据
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化合物1 55.7,55.8,59.9,94.3,103.3,104.1,109.4,111.6,120.0,122.9,131.3,149.0,152.1,152.7,157.3,163.3,182.2 化合物2 65.1,70.5,73.6,76.6,101.7,113.2,113.3,117.7,117.9,118.1,119.8,125.6,130.4,136.3,149.7,156.8,160.7,169.1,171.9 化合物6 113.4,117.9,119.9,131.2,136.6,162.7,172.8 化合物9 22.3,23.8,26.7,29.9,35.3,45.3,53.6,58.1,64.6,64.9,72.4,73.6,76.9,80.1,83.6,120.1,139.6,169.6 化合物11 38.9,56.1,59.8,94.1,103.2,104.3,104.7,121.3,131.4,140.1,148.3,152.9,157.1,164.3,182.6 模糊查询,搜索前十个结果即可,谢谢 [ Last edited by yaoxue1122 on 2012-5-25 at 08:44 ] |
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kaola0916
铁杆木虫 (著名写手)
- 应助: 173 (高中生)
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- 虫号: 856177
- 注册: 2009-09-25
- 专业: 药剂学
【答案】应助回帖
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化合物9 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 22.3,23.8,26.7,29.9,35.3,45.3,53.6,58.1,64.6,64.9,72.4,73.6,76.9,80.1,83.6,120.1,139.6,169.6 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8个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . 3β-chloro-4α,10α-dihydroxy-1α,2α-epoxy-5α,7αH-guaia-11(13)-en-12,6α-olide C15H17O4Cl 相似度:83.3% Biochemical Systematics and Ecology 2005 33 317-322 Sesquiterpene lactones and flavonoids of Achillea depressa Snežana Trifunović, Ivana Aljančić, Vlatka Vajs, Slobodan Macura, Slobodan Milosavljević Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . compound 7f 相似度:83.3% Phytochemistry 1988 27 1135-1140 Highly oxygenated guaianolides from Otanthus maritimus J. Jakupovic,R. Boeker,M. Grenz,L. Paredes,F. Bohlmann,A.Seif El-Din Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . 4α,10α-di-hydroxy-1β,2β-epoxy-5α,7αH-guaia-11(13)-en-12,6α-olide C15H20O5Cl 相似度:83.3% Tetrahedron 2003 59 3729-3735 Ligustolide A and B, two novel sesquiterpenes with rare skeletons and three 1,10-seco-guaianolide derivatives from Achillea ligustica Ahmed A Ahmed, Tamás Gáti, Taha A Hussein, Aptehal T Ali, Olga A Tzakou, Maria A Couladis, Tom J Mabry, Gábor Tóth Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . 1β,2β-Epoxy-3β,4α,10α-trihydroxyguaian-6α,12-olide 相似度:83.3% Journal of Chinese Pharmaceutical Sciences 2010 19 95-99 Chemical ingredients isolated from the aerial parts of Artemisia anomala Ke Zan; Xiao-Qing Chen; Qiang Fu; Si-Xiang Zhou; Mei-Tian Xiao; Jing Wen; Peng-Fei Tu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . substance A C15H19C1O5 相似度:61.1% Planta Medica 1988 54 171-172 New Chlorine-Containing Sesquiterpene Lactones from Chrysanthemum parthenium H. Wagner, B. Fessler, H. Lotter, and V. Wray Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . micheliolide C15H20O3 相似度:61.1% Journal of Natural Products 1993 Vol 56 90 Biomimetic Transformations of Parthenolide José Castañeda-Acosta, Nikolaus H. Fischer, David Vargas Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . 1α,2α,3α,4α,10α-pentahydroxyguaia-11(13)-ene-12,6α-olide C15H22O7 相似度:61.1% Phytochemistry 1991 30 3033-3035 Sesquiterpene lactones from Artemisia rutifolia R.X. Tan, Z.J. Jia, J. Jakupovic, F. Bohlmann, S. Huneck Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . Canin C15H19O5 相似度:61.1% Natural Product Sciences 2010 16 143-147 Inhibitors of Nitric Oxide Production from Artemisia princeps Li, Dayu; Han, Xiang Hua; Hong, Seong-Su; Lee, Chul; Lee, Moon-Soon; Lee, Dong-Ho; Lee, Mi-Kyeong; Hwang, Bang-Yeon Structure 13C NMR 碳谱模拟图 |
5楼2012-05-25 11:52:43
kaola0916
铁杆木虫 (著名写手)
- 应助: 173 (高中生)
- 金币: 6943.8
- 散金: 35
- 红花: 11
- 帖子: 1593
- 在线: 471.9小时
- 虫号: 856177
- 注册: 2009-09-25
- 专业: 药剂学
【答案】应助回帖
★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ...
感谢参与，应助指数 +1
yaoxue1122: 金币+100, ★★★★★最佳答案, 谢谢啊 2012-05-25 14:52:16
感谢参与，应助指数 +1
yaoxue1122: 金币+100, ★★★★★最佳答案, 谢谢啊 2012-05-25 14:52:16
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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 55.7,55.8,59.9,94.3,103.3,104.1,109.4,111.6,120.0,122.9,131.3,149.0,152.1,152.7,157.3,163.3,182.2 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596个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . eupatilin 相似度:94.4% 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 -------------------------------------------------------------------------------- 2 . eupatilin 相似度:94.4% Chinese Traditional and Herbal Drugs 2004 35 622-624 沙漠绢蒿化学成分研究 邓雁如,何荔,李维琪,汪汉卿 Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . Eupatilin 相似度:94.4% Natural Product Sciences 2010 16 143-147 Inhibitors of Nitric Oxide Production from Artemisia princeps Li, Dayu; Han, Xiang Hua; Hong, Seong-Su; Lee, Chul; Lee, Moon-Soon; Lee, Dong-Ho; Lee, Mi-Kyeong; Hwang, Bang-Yeon Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . eupatilin 相似度:94.4% Journal of Shenyang Pharmaceutical University 2010 27 440-442 Isolation and identification of chemical constituents from testa of Castanea mollissima Blume LU Chuan, WU Di, GAO Hui-yuan, SUN Bo-hang, HUANG Jian, WU Li-jun Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . eupatilin 相似度:94.4% Natural Product Research and Development 2006 18 958-961 Isolation and Structral Identification of Chemical Constituents from Anabasis brevifolia CHEN Hua; HajiA·Aisa; LI Yuan-chao Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . eupatilin 相似度:94.4% Natural Product Research and Development 2006 18 71-73 Chemical Constituents from Chrysanthemum morifolium Ramat ZHANG Jian; QIAN Da-wei; LI You-bin; YIN Zhi-qi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . 5,5'-dihydroxy-2' ,4' ,8-trimethoxyflavone C18H16O7 相似度:88.8% Planta Medica 1996 62 160-162 Two Flavones from Artemisia giraldil and their Antimicrobial Activity W. F. Zheng, R. X. Tan1, L. Yang, and Z. L. Liu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . 3',5,7-trihydroxy-4',6-dimethoxyflavonoid 相似度:88.2% Natural Product Research and Development 2006 18 958-961 Isolation and Structral Identification of Chemical Constituents from Anabasis brevifolia CHEN Hua; HajiA·Aisa; LI Yuan-chao Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . 5-羟基-3',4',6,7-四甲氧基黄酮 C19H18O7 相似度:84.2% Chinese Pharmaceutical Journal 2008 43 417-419 Study on Flavanoids in the Leaves of Premna szemaoensis Pei LI Qin LI Ping SHEN Yue-mao Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . 5-hydroxy-6,7,3',4'-tetramethoxyflavone 相似度:84.2% Chinese Pharmaceutical Journal 2010 45 1139-1141 Polymethoxylated Flavonoids from the Leaves of Murraya paniculata ZHANG Yun, LI Jun, ZHOU Si-xiang, TU Peng-fei Structure 13C NMR 碳谱模拟图 |
2楼2012-05-25 11:48:34
kaola0916
铁杆木虫 (著名写手)
- 应助: 173 (高中生)
- 金币: 6943.8
- 散金: 35
- 红花: 11
- 帖子: 1593
- 在线: 471.9小时
- 虫号: 856177
- 注册: 2009-09-25
- 专业: 药剂学
【答案】应助回帖
|
化合物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 65.1,70.5,73.6,76.6,101.7,113.2,113.3,117.7,117.9,118.1,119.8,125.6,130.4,136.3,149.7,156.8,160.7,169.1,171.9 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4个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . gentisic acid 5-O-β-D-(6'-salicylyl)-glucopyranoside C20H20O11 相似度:95% Acta Pharmaceutica Sinica 2011 46 561-563 A new phenolic glycoside from Prunella vulgaris GU Xiao-jie, LI You-bin *, MU Jun, ZHANG Yi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . Shimobashiraside C C20H20O11 相似度:95% Chemical & Pharmaceutical Bulletin 2012 60 121-128 Hyaluronidase Inhibitors from Keiskea japonica Toshihiro Murata, Toshio Miyase and Fumihiko Yoshizaki Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . N-(2-aminoformyl-phenyl)-2-hydroxybenzamide-5-O-β-D-allopyranoside C20H22N2O9 相似度:70% Chinese Journal of Natural Medicines 2004 2 276-279 Chemical Studies on Rabdosia rubenscens LIU Jing; XIE Tao; WEI Xiu Li; YANG Han; YANG Chun Hua; LIANG Jing Yu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . 2-acetamido-1,6-anhydro-4-O-benzyl-2-deoxy-3-O-{[(2R)-N-4-(2,2,2-trifluoroacetyl)phenylpropionamide]-2-yl}-β-D-glucopyranose 相似度:63.1% Bioorganic & Medicinal Chemistry 2010 18 7422-7431 1, 6-AnhMurNAc derivatives for assay development of amidase AmiD Frédéric Mercier, Astrid Zervosen, Nathalie Teller, Jean-Marie Frère, Raphaël Herman, Anne Pennartz, Bernard Joris, André Luxen Structure 13C NMR 碳谱模拟图 |
3楼2012-05-25 11:50:16
kaola0916
铁杆木虫 (著名写手)
- 应助: 173 (高中生)
- 金币: 6943.8
- 散金: 35
- 红花: 11
- 帖子: 1593
- 在线: 471.9小时
- 虫号: 856177
- 注册: 2009-09-25
- 专业: 药剂学
【答案】应助回帖
|
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： 21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2 113.4,117.9,119.9,131.2,136.6,162.7,172.8 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30个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . Salicylic acid 相似度:100% Chemistry of Natural Compounds 2008 44 368-369 FLAVONOIDS AND PHENOLIC COMPOUNDS FROM SEEDS OF THE CHINESE PLANT Nigella glandulifera X. L. Xin, H. A. Aisa, and H. Q. Wang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . salicylic acid 相似度:100% Korean Journal of Pharmacognosy 2004 35(4) 320-323 Phytochemical Components from the Whole Plants of Arabis glabra (L.) Bernh. Park, Hee-Wook; Baek, Nam-In; Kim, Sung-Hoon; Kwon, Byoung-Mog; Chung, In-Sik; Park, Mi-Hyun; Kim, Sang-Hyun; Kim, Dae-Keun Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . 2-Hydroxy benzoic acid 相似度:100% Records of Natural Products 2012 6:1 57-61 Secondary Metabolites from Halostachys caspica and Their Antimicrobial and Antioxidant Activities Hao Liu, Kui Wang, Jianglin Zhao, Mingan Wang and Ligang Zhou Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . 2-Hydroxy benzoic acid 相似度:100% Records of Natural Products 2012 6 57-61 Secondary Metabolites from Halostachys caspica and Their Antimicrobial and Antioxidant Activities Hao Liu,Kui Wang,Jianglin Zhao,Mingan Wang and Ligang Zhou Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . 水杨酸 相似度:100% Chinese Traditional and Herbal Drugs 2009 40 541-543 广枣化学成分的研究 唐丽;李国玉;杨柄友;匡海学 Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . 2-羟基苯甲酸 C7H6O3 相似度:100% Chinese Traditional and Herbal Drugs 2009 40 1549-1551 清明花枝叶化学成分的研究 王培;宋启示;徐蔚;李尚真 Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . 2-hydroxybenzoic acid 相似度:100% Chemistry of Natural Compounds 2010 46 119-120 Phenolic constituents of Canarium album Zhao-bao Xiang, Hai-sheng Chen, Yong-sheng Jin, Guang-li Wang and Liu-xin Xiang, et al. Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . 水杨酸 相似度:100% Journal of Shenyang Pharmaceutical University 2005 22 103-104 Study on the chemical constituents of Gentia na scabra Bge. LIU Ming-tao, HAN Zhi-chao, ZHANG Zhang, WU Li-jun Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . salicylic acid 相似度:100% Journal of Shenyang Pharmaceutical University 2003 20 422-424 Study on the chemical constituents of Mulberry LI Yin, TENG Yong-hui, CHENG Yi-hong, WU Li-jun Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . o-hydroxybenzoic acid 相似度:100% Natural Product Research and Development 2008 20 1005-1007 Chemical Constituents from the Aerial Part of Medicago sativa L. XU Wen-yan; GAO Wei-wei*; HE Chun-nian; TONG Jian-ming Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . Salicylic Acid 相似度:85.7% Journal of Natural Products 1988 Vol 51 977 Monohydroxy- and 2,5-Dihydroxy Terephthalic Acids, Two Unusual Phenolics Isolated from Centaurium erythraea and Identified in Other Gentianaceae Members Marianna Hatjimanoli, Jean Favre-Bonvin, Mourad Kaouadji, Anne-Marie Mariotte Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . m-hydroxy benzoicacid 相似度:85.7% Chinese Traditional and Herbal Drugs 2010 41 870-873 刘寄奴的化学成分研究 温晶;史海明;昝珂;刘艳芳;周雨虹;陈玉平;屠鹏飞 Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . 水杨酸 相似度:85.7% Chinese Traditional and Herbal Drugs 2009 40 512-516 千斤拔化学成分研究 李华;杨美华;斯建勇;马小军;缪剑华 Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . salicylic acid 相似度:85.7% Chinese Journal of Natural Medicines 2010 8 196-198 Chemical Constituents from the Vines of Pueraria lobata ZHANG De-Wu; DAI Sheng-Jun; LIU Wan-Hui; LI Gui-Hai Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . saliylic acid 相似度:85.7% Chinese Pharmaceutical Journal 2009 44 897-899 Studies on Chemical Constituents of Alhagi pseudalhagi(M.B.) ZHANG Gui-jie, LI Ning, XIONG Yuan-jun, LI Xian, LI Yong, JIA Xiao-guang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . 2-hydroxybenzoic acid 相似度:85.7% Journal of Shenyang Pharmaceutical University 2009 26 441-443 Chemical constituents from Folium Artemisiae argyi JI Shuang, ZHANG Yu-chuan, DIAO Yun-peng, MENG Da-li, LI Ning, LI Xian Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . salicylic acid 相似度:85.7% Journal of Shenyang Pharmaceutical University 2005 22 267-270 Chemical constituents of Folium Isatidis LI Wei, CHEN Fa-kui, YIN Xiang-wu, LIU Xiao-qiu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . 5-(2-hydroxy phenyl)-1,3,4-thiadiazole-2-thiol C8H6ON2S2 相似度:75% Journal of Heterocyclic Chemistry 2010 47 838-845 Green synthesis of 5-substituted-1,3,4-thiadiazole-2-thiols as new potent nitrification inhibitors Ajoy Saha, Rajesh Kumar, Rajendra Kumar and C. Devakumar Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . salicylis acid C7H6O3 相似度:71.4% Guihaia 2009 29 703-706 Studies on the chemical constituents of Buxus microphylla LIANG Rong-Gan; MAO Ting-Zhi; LIANG Cheng-Qin; LIANG Jun; SU Xiao-Jian; XU Qing Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . salicylic acid (2-hydroxybenzoic acid) 相似度:71.4% Natural Product Research 2003 17 445-449 A new xanthone from Hedychium gardnerianum Maria João Carvalho; Luís M. Carvalho; Ana Margarida Ferreira; Artur M. S. Silva Structure 13C NMR 碳谱模拟图 |
4楼2012-05-25 11:51:31