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化合物A 查詢模式：模糊查詢 碳譜數(shù)據(jù)輸入： 13.83,22.63,25.95,28.68,29.26,29.34,29.56,29.66,31.90,64.69,114.32,115.76,125.92,129.97,145.20,159.57,168.37 溶劑選項：CDCl3 相似度：>=60 % 化合物B 查詢模式：模糊查詢 碳譜數(shù)據(jù)輸入： 13.86,22.42,22.62,25.94,28.69,29.25,29.31,29.49,29.54,29.63,31.89,64.72,114.08,114.42,115.32,121.90,126.60,145.16,145.56,147.79,168.43 溶劑選項：CDCl3 相似度：>=60 % 非常感謝！ |
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sunqhui
金蟲 (正式寫手)
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4樓2012-10-23 17:09:19
2樓2012-10-23 16:34:42
sunqhui
金蟲 (正式寫手)
- 應助: 15 (小學生)
- 金幣: 1243.1
- 帖子: 928
- 在線: 101.8小時
- 蟲號: 1228330
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【答案】應助回帖
★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感謝參與，應助指數(shù) +1
晚風靜靜吹: 金幣+10, ★★★很有幫助 2012-10-24 10:22:47
感謝參與，應助指數(shù) +1
晚風靜靜吹: 金幣+10, ★★★很有幫助 2012-10-24 10:22:47
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21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2 13.8,22.6,25.9,28.6,29.2,29.3,29.5,29.6,31.9,64.6,114.3,115.7,125.9,129.9,145.2,159.5,168.3 溶劑選項： 全部 CDCl3 CD3CD2OD CD2Cl2 C5D5N C3D7NO CD3SOCD3 C4D8O (CH3)4Si C4D8O2 CD3COOD C4D8O2 H2O D2O CF3COOD CD3OD ND3 CD3COCD3 C6D6 CD3CN 查詢空值 匹配容差： (數(shù)字格式，可自行設定) 相似度： %(相似度>=50%) 查詢結果：共查到1373個化合物(查詢結果僅供參考) -------------------------------------------------------------------------------- 1 . compound 2 C43H76O3 相似度:94.1% Phytochemistry 1997 45 571-574 Clerodane diterpenoids, long chain esters of coumaric acid and other compounds from Baccharis myrsinites Cong-Jun Li, Ahmed A. Ahmed, Alicia Del Carmen Arias, Tom J. Mabry Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 2 . decyl p-coumarate C19H28O3 相似度:88.2% Chemical & Pharmaceutical Bulletin 2009 57 476-480 Synthesis and DNA Polymerase α and β Inhibitory Activity of Alkyl p-Coumarates and Related Compounds Katsumi Nishimura, Yukiko Takenaka, Manami Kishi, Takao Tanahashi, Hiromi Yoshida, Chiaki Okuda and Yoshiyuki Mizushina Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 3 . hexyl ester of p-hydroxy cinnamic acid C15H20O3 相似度:76.4% Zeitschrift für Naturforschung B 2005 60b 341-346 Enzymes Inhibitory Constituents from Buddleja crispa Ijaz Ahmad, Abdul Malik, Nighat Afza, Itrat Anis, Itrat Fatima, Sarfraz Ahmad Nawaz, Rasool Bukhsh Tareen, and M. Iqbal Choudhary Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 4 . (5Z)-5-[4-(Hexadecyloxy)benzylidene]imidazolidine-2,4-dione C26H40N2O3 相似度:76.4% Chemistry & Biodiversity 2011 Vol. 8 1470-1485 Optimization of (Phenylmethylidene)-hydantoins as Prostate Cancer Migration Inhibitors: SAR-Directed Design, Synthesis, and Pharmacophore Modeling Mudit Mudit and Khalid A. El Sayed Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 5 . octadecyl caffeate 相似度:75% Planta Medica 1998 64 237-241 Antimalarial Naphthoquinones from Nepenthes thorelil Kittisak Ukhitwitayawuid, Rawiwun Kaewamatawong, Nijsiri Ruangrungsi, and jerapan Krungkrai Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 6 . octacosanoyl ferulate 相似度:75% Phytochemistry 1998 47 1431-1433 Alkyl chromone and other compounds from Clusia nemorosa Márcio R. De Andrade, Elisangela X. Almeida, Lucia M. Conserva Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 7 . compound 1 相似度:75% Chemical & Pharmaceutical Bulletin 2003 51 1439-1440 Constituents of Hypericum laricifolium and Their Cyclooxygenase (COX) Enzyme Activities Hesham Rushdey El-Seedi, Therese Ringbom, Kurt Torssell and Lars Bohlin Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 8 . Caffeic acid docosanoyl ester 相似度:73.6% Korean Journal of Pharmacognosy 2009 40(4) 326-333 Phytochemical Studies on Lonicera Caulis (2) - Aliphatic and Phenolic Compounds Kim, Ju-Sun; Yean, Min-Hye; Seo, Hyun-Kyu; Lee, Je-Hyun; Kang, Sam-Sik Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 9 . 3',4'-dihydroxy-trans-cinamic acid octacosyl ester 相似度:72.2% Chinese Traditional and Herbal Drugs 2009 40 512-516 千斤拔化學成分研究 李華;楊美華;斯建勇;馬小軍;繆劍華 Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 10 . n-didecyl 2,2',3,3',4,4'-hexahydroxybiphenyl-6,6'-dicarboxylate C34H50O10 相似度:70.5% Journal of Natural Products 2001 64 1010-1014 Ellagitannins and Hexahydroxydiphenoyl Esters as Inhibitors of Vertebrate Squalene Epoxidase Ikuro Abe,Yasuhiko Kashiwagi,Hiroshi Noguchi, Takashi Tanaka, Yasumasa Ikeshiro, and Yoshiki Kashiwada Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- 11 . n-ditetradecyl 2,2',3,3',4,4'-hexahydroxybiphenyl-6,6'- dicarboxylate C42H66O10 相似度:70.5% Journal of Natural Products 2001 64 1010-1014 Ellagitannins and Hexahydroxydiphenoyl Esters as Inhibitors of Vertebrate Squalene Epoxidase Ikuro Abe,Yasuhiko Kashiwagi,Hiroshi Noguchi, Takashi Tanaka, Yasumasa Ikeshiro, and Yoshiki Kashiwada Structure 13C NMR 碳譜模擬圖 -------------------------------------------------------------------------------- |
3樓2012-10-23 17:08:10
5樓2012-10-24 10:22:18
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