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[求助]
[求助]哪位好人学校可以使用微谱数据库，帮我检索几个化合物的母核。谢谢！
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本人是药化新手，分离的化合物老板只让做碳谱和氢谱，哪个虫虫学校可以使用微谱数据库，帮我检索一下下面三个碳谱数据，需要能得知一个大致的母核结构。谢谢。为表诚意，把刚注册的新号所获得的5个金币全部奉送。 化合物1的碳谱： 197.69,175.25,142.30,140.40,137.41,129.43,125.68,124.11,79.30,77.28,75.65,68.26,51.31,49.50,48.34，43.64,39.57,35.04,29.18,24.93,23.60,21.49,19.96,15.60,13.50 化合物2的碳谱： 196.48,172.09,165.44,163.35,148.88,137.53,131.57,114.18,113.71,102.97,72.93,43.67,33.74,32.67,27.69,24.06,19.76 化合物3的碳谱： 206.10,171.78,160.74，159.57,136.26,118.68,112.07,102.64,72.66,68.12,51.88,51.36,40.48,33.96,32.03,28.08,21.33,20.82,18.78 再次谢谢 |
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5楼2012-04-05 19:10:55
【答案】应助回帖
感谢参与，应助指数 +1
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化合物1 1 . aspochalasin D C24H35NO4 相似度:96% The Journal of Antibiotics 2001 54 379-381 Selective Cytotoxicity and Stereochemistry of Aspochalasin D TAIJIRO TOMIKAWA,KAZUO SHIN-YA,TAISEI KINOSHITA,ATSUSHI MIYAJIMA,HARUO SETO and YOICHI HAYAKAWA Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . aspochalasin Z C24H35NO2 相似度:88% The Journal of Antibiotics 2004 57 715-720 Aspochalamins A-D and Aspochalasin Z Produced by the Endosymbiotic Fungus Aspergillus niveus LU 9575 II. Structure Elucidation ALEXANDRA HÖLTZEL,DIETMAR G. SCHMID,GRAEME J. NICHOLSON,PHILIPP KRASTEL,AXEL ZEECK,KLAUS GEBHARDT,HANS-PETER FIEDLER and GÜNTHER JUNG Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . 17,18-di-O-acetyl aspochalasin D 相似度:82.1% The Journal of Organic Chemistry 1997 62 2148-2151 Phomacins: Three Novel Antitumor Cytochalasan Constituents Produced by a Phoma sp. Khisal A. Alvi, Bipin Nair, Henry Pu, Rocky Ursino, Cathy Gallo, and Ursula Mocek Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . aspochalasin H C24H35NO5 相似度:76% The Journal of Antibiotics 2002 55 666-668 Structure of Aspochalasin H, a New Member of the Aspochalasin Family TAIJIRO TOMIKAWA,KAZUO SHIN-YA,HARUO SETO,NORIYUKI OKUSA,TAKAYUKI KAJIURA and YOICHI HAYAKAWA Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . scutebarbatine H C26H31NO7 相似度:73.0% Chemical & Pharmaceutical Bulletin 2007 55(8) 1218-1221 Five New neo-Clerodane Diterpenoid Alkaloids from Scutellaria barbata with Cytotoxic Activities Sheng-Jun DAI,Gong-Fu WANG, Meng CHEN, Ke LIU, and Li SHEN Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . compound 2 C26H38O9 相似度:73.0% Natural Product Communications 2010 5 669-674 Eudesmanolides and Methyl Ester Derivatives fromDimerostemma arnottii Sérgio Ricardo Ambrosio, Ricardo Stefani, Vladimir Constantino Gomes Heleno,Márcio Antônio de Menezes, Antonio Gilberto Ferreira, Paulo Gustavo BarboniDantas Nascimento , Mara Angelina Galvão Magenta and Fernando Batista Da Costa Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . aspochalasin K C25H39NO5 相似度:72% Journal of Natural Products 2004 67 328-332 Aspochalasins I, J, and K: Three New Cytotoxic Cytochalasans of Aspergillus flavipes from the Rhizosphere of Ericameria laricifolia of the Sonoran Desert Guang-Xiong Zhou, E. M. Kithsiri Wijeratne, Donna Bigelow,Leland S. Pierson, Hans D. VanEtten, and A. A. Leslie Gunatilaka Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . aspochalasin R 相似度:72% Chinese Chemical Letters 2010 21 824-826 Three new aspochalasin derivatives from the marine-derived fungus Spicaria elegans Zhen Jian Lin; Tian Jiao Zhu; Li Chen; Qian Qun Gu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . aspochalasin T C24H35NO5 相似度:72% Chinese Chemical Letters 2010 21 824-826 Three new aspochalasin derivatives from the marine-derived fungus Spicaria elegans Zhen Jian Lin; Tian Jiao Zhu; Li Chen; Qian Qun Gu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . compound 14a C24H37NO4 相似度:72% Tetrahedron 2012 68 159-165 Construction of A/E/F ring systems of C19-diterpenoid alkaloids with both C-1 and C-6 oxygen functions Zhi-Gang Liu, Liang Xu, Qiao-Hong Chen, Feng-Peng Wang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . phomacin A C25H37NO5 相似度:72% The Journal of Organic Chemistry 1997 62 2148-2151 Phomacins: Three Novel Antitumor Cytochalasan Constituents Produced by a Phoma sp. Khisal A. Alvi, Bipin Nair, Henry Pu, Rocky Ursino, Cathy Gallo, and Ursula Mocek Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . phomacin C C25H37NO4 相似度:72% The Journal of Organic Chemistry 1997 62 2148-2151 Phomacins: Three Novel Antitumor Cytochalasan Constituents Produced by a Phoma sp. Khisal A. Alvi, Bipin Nair, Henry Pu, Rocky Ursino, Cathy Gallo, and Ursula Mocek Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . (3S,6R,7R,8R)-3,14-dihydroxy-8-(2'-methylbutyroyloxy)-helianga-1(10),4,11(13)-trien-6,12-olide C22H30O7 相似度:72% Bioorganic & Medicinal Chemistry 2009 17 3189-3197 Inhibitory effects of sesquiterpene lactones isolated from Eupatorium chinense L. on IgE-mediated degranulation in rat basophilic leukemia RBL-2H3 cells and passive cutaneous anaphylaxis reaction in mice Tomohiro Itoh, Masayoshi Oyama, Norihiko Takimoto, Chihiro Kato, Yoshinori Nozawa, Yukihiro Akao, Munekazu Iinuma Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- |
2楼2012-04-01 22:30:35
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化合物2 1 . dehydrocurvularin 相似度:88.2% Journal of Natural Products 1993 Vol 56 2175 6-Chlorodehydrocurvularin, a New Metabolite from Cochliobolus spicifer Emilio L. Ghisalberti, Catherine Y. Rowland Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . dehydrocurvularin 相似度:82.3% The Journal of Antibiotics 2004 57 341-344 A New Anthraquinone and Cytotoxic Curvularins of a Penicillium sp. from the Rhizosphere of Fallugia paradoxa of the Sonoran Desert JIXUN ZHAN,E. M. KITHSIRI WIJERATNE,CHRISTOPHER J. SELIGA,JUN ZHANG,ELIZABETH E. PIERSON,LELAND S. PIERSON III,HANS D. VANETTEN and A. A. LESLIE GUNATILAKA Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . E-6-chloro-10,11-dehydrocurvularin 相似度:76.4% Journal of Natural Products 1993 Vol 56 2175 6-Chlorodehydrocurvularin, a New Metabolite from Cochliobolus spicifer Emilio L. Ghisalberti, Catherine Y. Rowland Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . (3R ),(5R )-5-hydroxy-de-O-methyllasiodiplodin C16H22O5 相似度:70.5% Phytochemistry 2000 54 489-494 Potato micro-tuber inducing hydroxylasiodiplodins from Lasiodiplodia theobromae Qing Yang, Maki Asai, Hideyuki Matsuura, Teruhiko Yoshihara Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . trans-dehydrocurvularin C16H18O5 相似度:70.5% Natural Product Research and Development 2005 17 677-680 Isolation of Secondary Metabolites of 9F Series Marine Fungi and Their Bioactivities against Pyricularia oryzae ZHAO Ling-ling; ZHANG Hui-ping Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . xestospongiene Z3/Z4 C17H23Br3O3 相似度:70.5% Tetrahedron 2011 67 58-68 Brominated polyunsaturated lipids and their stereochemistry from the Chinese marine sponge Xestospongia testudinaria Wei Jiang, Dong Liu, Zhiwei Deng, Nicole J. de Voogd, Peter Proksch, Wenhan Lin Structure 13C NMR 碳谱模拟图 |
3楼2012-04-01 22:35:18
4楼2012-04-01 22:46:41
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