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[求助]
微谱结构求助
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化合物1碳谱如下：148.89,148.50,145.95,138.15,137.57,131.21,124.27,120.23,118.79,117.58,114.90,112.42,103.47,89.17,81.07,80.16,79.82,76.15,72.48,65.65,63.60,62.73,57.51,57.13,56.42,37.32,33.94 化合物2碳谱如下： 205.23,204.55,170.95,170.63,161.54,161.35,160.26,159.49,137.51,136.74,121.04,120.35,112.35,111.89,102.92,102.87,73.21,70.81,67.39,66.60,55.27,54.44,40.34,39.51,35.54,34.86，31.86,31.36,22.60,21.21,19.02,18.87 化合物3碳谱如下： 175.81,139.47,136.69,125.88，78.77，67.72,57.34,53.80,50.93,48.92,43.48,41.86,37.33,30.13,25.05,23.54,21.52,19.86,15.84,13.45 谢谢大侠，老板只让做碳氢，结构真不好搞，连个母核都不好定。再次谢谢。 |
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anyluk
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2楼2012-04-17 09:08:27
lifeliuyan
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感谢参与，应助指数 +1
nju123456: 金币+5 2012-04-17 21:02:52
感谢参与，应助指数 +1
nju123456: 金币+5 2012-04-17 21:02:52
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化合物3 查询结果：共查到529个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . aspochalasin K C25H39NO5 相似度:80% 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 2 . aspochalasin D C24H35NO4 相似度:66.6% 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 3 . aspochalasin H C24H35NO5 相似度:62.5% 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 4 . methyl (1S,4aS,5R,6R,8aS)-5-[2-(3-furyl)ethyl]-1,4a-dimethyl-6-methylaminoperhydronaphthalene-1-carboxylate [methyl (8R)-15,16-epoxy-8-methylamino-17-norlabda-13(16),14-dien-18-oate] 相似度:61.9% Russian Journal of Organic Chemistry 2005 41 535-545 Synthetic Transformations of Higher Terpenoids: IX. Nitrogen-Containing Heterocyclic Compounds on the Basis of Lambertianic Acid S. V. Chernov, E. E. Shul’ts, M. M. Shakirov, I. Yu. Bagryanskaya and Yu. V. Gatilov, et al 这是微碳结果 还有 你数据要按从小到大顺序输入，数字间用英文半角逗号(,)分隔例如： 如：21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2 |
3楼2012-04-17 10:52:44
lifeliuyan
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化合物2 查询结果：共查到1个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . 14,17-diacetoxy-20-isopropyl-5,9-dimethylpentacyclo[10.6.2(1,10).0(4,9).0(13,18)]icos-19-ene-5-yl-methyl acetate C32H48O6 相似度:50% Russian Journal of Organic Chemistry 2008 44 1598-1605 Synthesis, structure, and acylation of dihydroquinopimaric acid hydroxy derivatives I. E. Smirnova, E. V. Tret’yakova, O. B. Flekhter, L. V. Spirikhin and F. Z. Galin, et al. Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- |
4楼2012-04-18 08:44:44
lifeliuyan
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nju123456: 金币+5 2012-04-18 09:10:27
nju123456: 金币+5 2012-04-18 09:10:27
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查询结果：共查到529个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . aspochalasin K C25H39NO5 相似度:80% 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 -------------------------------------------------------------------------------- 2 . aspochalasin D C24H35NO4 相似度:66.6% 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 -------------------------------------------------------------------------------- 3 . aspochalasin H C24H35NO5 相似度:62.5% 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 -------------------------------------------------------------------------------- 4 . methyl (1S,4aS,5R,6R,8aS)-5-[2-(3-furyl)ethyl]-1,4a-dimethyl-6-methylaminoperhydronaphthalene-1-carboxylate [methyl (8R)-15,16-epoxy-8-methylamino-17-norlabda-13(16),14-dien-18-oate] 相似度:61.9% Russian Journal of Organic Chemistry 2005 41 535-545 Synthetic Transformations of Higher Terpenoids: IX. Nitrogen-Containing Heterocyclic Compounds on the Basis of Lambertianic Acid S. V. Chernov, E. E. Shul’ts, M. M. Shakirov, I. Yu. Bagryanskaya and Yu. V. Gatilov, et al. Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . 3β,17-dihydroxycleistantha-12,15-dien-2-one C20H30O3 相似度:60% Helvetica Chimica Acta 2006 Vol. 89 2841 A Rare New Cleistanthane Diterpene from the Pericarp of Trewia nudiflora Zhi-Zhi Du and Yue-Mao Shen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . labd-7-en-15,18-dioic acid 相似度:60% Natural Product Research 2002 16 223-228 Labdane Diterpenes from Haplopappus Illinitus Francesca Faini; Cecilia Labbé; René Torres; Giuliano Delle Monache; Franco Delle Monache Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . dihydrosteviol A 相似度:60% Journal of Natural Products 1987 Vol 50 434 Characterization and Feeding Deterrent Effects on the Aphid, Schizaphis graminum, of Some Derivatives of the Sweet Compounds, Stevioside and Rebaudioside A N. P. D. Nanayakkara, J. A. Klocke, C. M. Compadre, R. A. Hussain, J. M. Pezzuto, A. D. Kinghorn Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . ent-7-acetoxy-16,19-dihydroxygibberellan-20-oic acid 20,19-lactone C22H32O5 相似度:60% Phytochemistry 1993 34 693-696 Bio-transformation of gibberellin 20,19-lactones by Rhizopus stolonifer Braulio M. Fraga, J.Clemente Diaz Gomez, M.Shaiq Ali, James R. Hanson Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . compound 9b 相似度:60% Tetrahedron Letters 2001 42 4163-4165 Efforts towards the synthesis of jatrapholane diterpenes: a biomimetic transannular reaction approach Tomoo Matsuura, Yukimasa Terada, Shosuke Yamamura Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . methyl (1S,4aS,5R,8aS)-5-[2-(3-furyl)ethyl]-1,4a-dimethyl-6-oxoperhydronaphthalene-1-carboxylate [methyl 15,16-epoxy-17-nor-8-oxolabda-13(16),14-dien-18-oate] 相似度:60% Russian Journal of Organic Chemistry 2005 41 535-545 Synthetic Transformations of Higher Terpenoids: IX. Nitrogen-Containing Heterocyclic Compounds on the Basis of Lambertianic Acid S. V. Chernov, E. E. Shul’ts, M. M. Shakirov, I. Yu. Bagryanskaya and Yu. V. Gatilov, et al. Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . (1S,2E,4R,6R,7E,11S,12S)-6-acetoxy-2,7-cembradiene-4,,11,12-triol 相似度:59.0% Acta Chemica Scandinavica 1986 40 123-134 Tobacco Chemistry. 66. (5R,6S,7E,9S)-7-Megastigmene-5,6,9-triol, a New Constituent of Greek Tobacco. Wahlberg, Inger; Eklund, Ann-Marie; Enzell, Curt R.; Berg, Jan-Eric Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . aspochalasin T C24H35NO5 相似度:58.3% 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 -------------------------------------------------------------------------------- 13 . methyl havardate C 相似度:57.1% Phytochemistry 1987 26 483-489 Havardic acids A-F and havardiol,labdane diterpenoids from Grindelia havardii Shivanand D. Jolad,Barbara N. Timmermann,Joseph J. Hoffmann,Robert B. Bates,Teruna J. Siahaan Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . 4β-hydroxy-10α-methoxy-15-(3-methyl-2-butenyl)aromadendrane C21H36O2 相似度:57.1% Tetrahedron 1997 53 9301-9312 Rare aromadendrane diterpenoids from a new soft coral species of Sinularia genus of the Indian Ocean Ammanamanchi S.R. Anjaneyulu, Moturu V.R. Krishnamurthy, Gottumukkala V. Rao Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . methyl ent-12β-acetoxy-15β,16β-epoxykauran-19-oate C23H34O5 相似度:56.5% Journal of Natural Products 2004 67 614-621 Further Labdane and Kaurane Diterpenoids and Other Constituents from Plectranthus fruticosus Cristina Gaspar-Marques, M. Ftima Simes, and Benjamn Rodrguez Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . aspochalasin R 相似度:56% 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 -------------------------------------------------------------------------------- 17 . 1α,2α,3α,4a -Diepoxy-8α-angeloyloxy-10β-hydroxy-6βH,7αH,11βH-12,6α-guaianolide C22H29NO7 相似度:55% Phytochemistry 2006 67 764-770 Sesquiterpene lactones from Achillea collina J. Becker ex Reichenb Antoaneta Trendafilova, Milka Todorova, Bozhanka Mikhova, Antonina Vitkova, Helmut Duddeck Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . 2α,3β,13(S),16α-tetrahydroxystemodane C20H34O2 相似度:55% Phytochemistry 2004 65 701-710 Investigation of the importance of the C-2 oxygen function in the transformation of stemodin analogues by Rhizopus oryzae ATCC 11145 Glenroy D.A. Martin, William F. Reynolds, Paul B. Reese Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . cussovantonin A C20H32O5 相似度:55% Phytochemistry 2002 61 367-372 ent-Kaurane diterpenoid glycosides from a Malagasy endemic plant, Cussonia vantsilana Liva Harinantenaina, Ryoji Kasai, Kazuo Yamasaki Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . pulioplopanone B C15H26O3 相似度:55% Journal of Natural Products 2005 68 523-531 Sesquiterpenoids from Pulicaria canariensis and Their Cytotoxic Activities Jorge Triana, Mariana Lpez, Francisco J. Prez, Javier Gonzlez-Platas,Jos Quintana, Francisco Estvez, Francisco Len, and Jaime Bermejo Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 21 . compound 1 C20H33BrO2 相似度:55% Journal of Natural Products 2003 66 1225-1228 New Brominated Labdane Diterpenes from the Red Alga Laurencia obtusa Dimitra Iliopoulou,Nikos Mihopoulos, Vassilios Roussis,and Constantinos Vagias Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 22 . ent-16-ketobeyeran-19-oic acid 相似度:55% Journal of Natural Products 2002 65 273-277 Microbial Transformations of Isosteviol Feng-Lin Hsu, Chia-Chung Hou, Li-Ming Yang, Juei-Tang Cheng, Tzong-Cherng Chi, Pang-Chun Liu, and Shwu-Jiuan Lin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 23 . (-)-16α-hydroxykauran-19-oic acid 相似度:55% Journal of Natural Products 1999 62 1522-1525 Immunosuppressive Diterpenoids from Tripterygium wilfordii Hongquan Duan, Yoshihisa Takaishi, Hiroshi Momota, Yasukazu Ohmoto, Takao, Taki, Yongfeng Jia, and Duan Li Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 24 . isosteviol 相似度:55% Planta Medica 2007 73 1581-1587 Novel ent-Beyeran-19-oic Acids from Biotransformations of Isosteviol Metabolites by Mortierella isabellina Che-Ling Lin1,Shwu-Jiuan Lin,Wei-Jan Huang,Yuan-Ling Ku,Tung-Hu Tsai,Feng-Lin Hsu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 25 . 11α,13-dihydro-2-O-tigloylflorilenalin C20H28O5 相似度:55% Planta Medica 2005 71 1044-1052 New Sesquiterpene Lactones from Arnica Tincture Prepared from Fresh Flowerheads of Arnica montana Olha Kos,Maja T. Lindenmeyer,Aurelia Tubaro,Silvio Sosa,Irmgard Merfort Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 26 . 8α,13S-epoxylabdane-14S,15-diol C20H36O3 相似度:55% Planta Medica 2000 66 734-739 Phytotoxic Compounds from Xanthocephalum gymnospermoides var.eradiatum Isabel Rivero-Cruz,José Luis Trejo,María Isabel Aguilar,Robert Bye,Rachel Mata Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 27 . P4 C19H28ClNO5S 相似度:55% Chemical & Pharmaceutical Bulletin 1996 44 273-279 Michael-Type Addition of Illudin S, a Toxic Substance from Lampteromyces japonicus, with Cysteine and Cysteine-Containing Peptides in Vitro Ken TANAKA,Takako INOUE,Yasuhiro TEZUKA and Tohru KIKUCHI Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 28 . saussureamine A C20H29O4N 相似度:55% Chemical & Pharmaceutical Bulletin 1993 41 214-216 SAUSSUREAMINES A, B, C, D, AND E, NEW ANTI-ULCER PRINCIPLES FROM CHINESE SAUSSUREAE RADIX Masayuki YOSHIKAWA,Shoko HATAKEYAMA,Yasuhiro INOUE and Johji YAMAHARA Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 29 . 16α-hydroxy-ent-kauran-19-oic acid C20H32O3 相似度:55% Chemical & Pharmaceutical Bulletin 1984 32 4620-4624 Chemical and Chemotaxonomical Studies on Filices. LI. Chemical Studies on the Constituents of Costa Rican Ferns. (3) TOSHIKO SATAKE,TAKAO MURAKAMI,YASUHISA SAIKI,CHIUMING CHEN and LUIS D. GOMEZ P. Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 30 . 3-Methylhydroxyestra-1,3,5(10)-trien-17-one 相似度:55% Chemistry of Natural Compounds 2004 40 50-53 SYNTHESIS OF NEW ESTRONE DERIVATIVES USING EXCESS OXALYL CHLORIDE L. Nahar, S. D. Sarker,P. K. Li,and A. B. Turner1 Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- |
5楼2012-04-18 08:46:24