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rxm870202木虫 (正式写手)
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[求助]
求高手解谱 有氢谱和碳谱
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其中A1已经解出为软木三萜酮 A2还没解出来 附上碳谱数据 11.6,15.7,16.1,16.3,17.5,18.1,18.4,18.6,19.5,20.1,23.6,25.4,27.7,28.1,28.2,28 .9,29.9,30.0,30.3,30.6,31.7,32.0,32.0,32.2,32.3,32.7,33.0,34.5,34.5,34.8,35.0 ,35.1,35.3,35.5,35.9,36.0,37.0,37.7,38.3,38.9,39.2,40.7,41.6,42.7,43.0,47.3,4 9.1,49.6,53.1,61.2,72.7,76.3,122.0,141.5 其中有些峰很小 也给出积分了 觉得可能有些石油醚的溶剂峰 去除一些小峰之后的碳谱数据是 11.6,15.7,16.1,16.3,17.5,18.1,18.4,18.6,19.5,20.1,23.6,25.4,27.7,28.2,28.9,30 .0,30.3,30.6,31.7,32.0,32.0,32.2,32.3,32.7,33.0,34.5,34.5,34.8,35.0,35.1,35.3 ,35.5,35.9,36.0,37.7,38.9,39.2,40.7,41.6,42.7,43.0,47.3,49.1,49.6,53.1,61.2,7 2.7,76.3,122.0,141.5 哪位大侠可以用微谱数据帮忙查一下~ 谢谢 |
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rxm870202
木虫 (正式写手)
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3楼2011-11-11 10:42:49
【答案】应助回帖
rxm870202(金币+30): 谢谢 2011-11-11 10:59:30
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用的是去除小峰的碳谱： 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 11.6,15.7,16.1,16.3,17.5,18.1,18.4,18.6,19.5,20.1,23.6,25.4,27.7,28.2,28.9,30.0,30.3,30.6,31.7,32.0,32.0,32.2,32.3,32.7,33.0,34.5,34.5,34.8,35.0,35.1,35.3,35.5,35.9,36.0,37.7,38.9,39.2,40.7,41.6,42.7,43.0,47.3,49.1,49.6,53.1,61.2,72.7,76.3,122.0,141.5 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591个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . 3β-hydroxy-35-(cyclohexyl-5'-propan-7'-one)-33-ethyl-34-methyl-bactereohopane C47H82O2 相似度:70% Chinese Chemical Letters 2011 22 81-84 A novel bacteriohopanoid from Celtis australis L. bark Ruchi Badoni, Deepak Kumar Semwal, Prabhakar P. Badoni, Sudhir Kumar Kothiyal, Usha Rawat Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . 5α,14α-cevanin-6-O-20β-hydroxy-3β-yl-3α,6α-dihydroxy-5β-cholan-24-oate C51H81NO6 相似度:66.6% Steroids 2009 74 424-434 Structural analysis and antitussive evaluation of five novel esters of verticinone and bile acids Jiu-liang Zhang, Hui Wang, Hui-fang Pi, Han-li Ruan, Peng Zhang, Ji-zhou Wu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . 5α-stigmast-9(11)-en-3β-ol-tetraco santrienoic acid ester 相似度:65.3% China Journal of Chinese Materia Medica 1996 21 666-667 Studies on Chemical Components of Cynomorium songaricum Rupr. Xu Xiuzhi, Zhang Chengzhong and Li Chong Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . 5α,14α-cevanin-6-O-20β-hydroxy-3β-yl-3α,7α,12α-trihydroxy-5β-cholan-24-oate C51H81NO7 相似度:64.7% Steroids 2009 74 424-434 Structural analysis and antitussive evaluation of five novel esters of verticinone and bile acids Jiu-liang Zhang, Hui Wang, Hui-fang Pi, Han-li Ruan, Peng Zhang, Ji-zhou Wu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . 5α,14α-cevanin-6-O-20β-hydroxy-3β-yl-3α,7α-dihydroxy-5β-cholan-24-oate C51H81NO6 相似度:64.7% Steroids 2009 74 424-434 Structural analysis and antitussive evaluation of five novel esters of verticinone and bile acids Jiu-liang Zhang, Hui Wang, Hui-fang Pi, Han-li Ruan, Peng Zhang, Ji-zhou Wu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . 5α,14α-cevanin-6-O-20β-hydroxy-3β-yl-3α,12α-dihydroxy-5β-cholan-24-oate C51H81NO6 相似度:62.7% Steroids 2009 74 424-434 Structural analysis and antitussive evaluation of five novel esters of verticinone and bile acids Jiu-liang Zhang, Hui Wang, Hui-fang Pi, Han-li Ruan, Peng Zhang, Ji-zhou Wu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . N-(Cholest-5-en-3β-yl)-3β-hydroxyandrost-5-ene-17β-carboxamide C47H75NO2 相似度:62% Steroids 2009 74 88-94 Steroids linked with amide bond—Extended cholesterol Ivan Černý, Miloš Buděšínský, Vladimír Pouzar, Pavel Drašar Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . daucosterol+stigmasterol-3-O-glucopyranoside 相似度:60.7% Chinese Traditional and Herbal Drugs 2004 35 608-611 Studies on chemical constituents of Indigofera carlesii SU Yan-fang; ZHANG Xin-xin; YANG Jing; GUO Zeng-jun; Lü Ju-xian; GUO De-an Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . 11 ,12 :13 ,28-diepoxyoleanan-3 -yl (9Z)-hexadec-9-enoate C46H76O4 相似度:60% Helvetica Chimica Acta 2004 Vol. 87 46 Palmitoleate (=(9Z)-Hexadeca-9-enoate) Esters of Oleanane Triterpenoids from the Golden Flowers of Tagetes erecta: Isolation and Autoxidation Products Shaheen Faizi and Aneela Naz Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . procrim a C46H80O3 相似度:60% Chemical & Pharmaceutical Bulletin 2002 50(3) 439-440 Two Novel Long-Chain Alkanoic Acid Esters of Lupeol from Alecrim-Propolis Satomi FURUKAWA,Naomichi TAKAGI,Tsuyoshi IKEDA,Masateru ONO,Alaa Mohamed NAFADY,Toshihiro NOHARA,Hiroyuki SUGIMOTO,Shima DOI,and Hideo YAMADA Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . procrim b C30H49 相似度:60% Chemical & Pharmaceutical Bulletin 2002 50(3) 439-440 Two Novel Long-Chain Alkanoic Acid Esters of Lupeol from Alecrim-Propolis Satomi FURUKAWA,Naomichi TAKAGI,Tsuyoshi IKEDA,Masateru ONO,Alaa Mohamed NAFADY,Toshihiro NOHARA,Hiroyuki SUGIMOTO,Shima DOI,and Hideo YAMADA Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . 3α-Hydroxy-5β-cholan-24-oic acid (cholan-24-oicacid methyl ester)-3-yl ester C49H81O5 相似度:60% Steroids 2003 68 1157-1161 Synthesis of ester-linked lithocholic acid dimers Lutfun Nahar, Alan B. Turner Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . reglin C50H70O8 相似度:60% Phytochemistry 1995 39 931-933 Abietane and clerodane diterpenes from Salvia regla Alfredo Ortega, Jorge Cárdenas, Douglas A. Gage, Emma Maldonado Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . taibaienoside V C52H86O14 相似度:60% Chinese Pharmaceutical Journal 1997 32 78-80 Two new oleanolic acid saponins from the root bark of Aralia taibaiensis Tang Haifeng(Tang HF), Yi Yanghua(Yi YH), Wang Zhongzhuang(Wang ZZ), et al Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . (cis)-2-(4-{2-[(ethoxycarbonyl)amino]ethoxy}benzyl)cyclohexyl (3α,5β,7α,12α)-7,12-bis(formyloxy)-3-hydroxycholan-24-oate 相似度:60% Bioorganic & Medicinal Chemistry 2010 18 8194-8203 Steroid conjugates: Synthesis and preliminary biological testing of pro-juvenoids Hana Svobodová, Hana Ryšavá, Milan Pavlík, David Šaman, Pavel Drašar, Zdeněk Wimmer Structure 13C NMR 碳谱模拟图 |
2楼2011-11-11 10:19:58
rxm870202
木虫 (正式写手)
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4楼2011-11-11 10:43:42
5楼2011-11-11 16:15:31
