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杨大松至尊木虫 (文坛精英)
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[求助]
求助微谱数据，谢谢
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分到一个感觉是卡司烷型二萜，但是碳谱上多了两个信号无法解释，想看下有没有没类似的化合物，碳谱数据如下： 11.7,15.2,15.7,16.0,23.3,23.9,24.6,26.9,28.7,29.9,34.5,37.1,39.7,40.0,61.2,63.6,77.2,120.1,136.9,137.8,142.9,198.6 辛苦各位了，谢谢！ |
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kaola0916
铁杆木虫 (著名写手)
- 应助: 173 (高中生)
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- 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
杨大松: 金币+15, ★★★★★最佳答案 2012-06-20 21:51:10
感谢参与，应助指数 +1
杨大松: 金币+15, ★★★★★最佳答案 2012-06-20 21:51:10
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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 11.7,15.2,15.7,16.0,23.3,23.9,24.6,26.9,28.7,29.9,34.5,37.1,39.7,40.0,61.2,63.6,77.2,120.1,136.9,137.8,142.9,198.6 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219个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . (3E,7Z,11E)-19-hydroxycasba-3,7,11-trien-5-one C20H30O2 相似度:68.1% Helvetica Chimica Acta 2009 92 2762-2768 Three Terpenoids and a Tocopherol-Related Compound from Ricinus communis Qin-Gang Tan, Xiang-Hai Cai, Zhi-Zhi Du, Xiao-Dong Luo Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . depressin C20H30O 相似度:68.1% Journal of Natural Products 2010 73 133-138 Rare Casbane Diterpenoids from the Hainan Soft Coral Sinularia depressa Yan Li, Marianna Carbone, Rosa Maria Vitale, Pietro Amodeo, Francesco Castelluccio, Giovanna Sicilia, Ernesto Mollo, Michela Nappo, Guido Cimino, Yue-Wei Guo and Margherita Gavagnin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . dasyscyphin D C22H32O2 相似度:63.6% Journal of Natural Products 2008 71(9) 1654-1656 Tetracyclic Terpenoids from Dasyscyphus niveus, Dasyscyphins D and E Johannes C. Liermann, Heinz Kolshorn, Heidrun Anke, Eckhard Thines, and Till Opatz Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . mayolide D C20H26O5 相似度:63.6% Chemical & Pharmaceutical Bulletin 1988 36 488-494 Marine Terpenes and Terpenoids. IV. Isolation of New Cembranoid and Secocembranoid Lactones from the Soft Coral Sinularia mayi MASARU KOBAYASHI Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . 14-hydroxyvibsanin F C20H32O3 相似度:59.0% Chemical & Pharmaceutical Bulletin 2001 49(2) 242-245 Vibsane-type Diterpenes from Taiwanese Viburnum odoratissimum Miwa KUBO,Ih-Sheng CHEN,and Yoshiyasu FUKUYAMA Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . (3S,5R,10S)-7-oxo-12-methoxyabieta-8,11,13-triene-3,11-diol C21H30O4 相似度:59.0% Phytochemistry 2002 59 385-389 Abietane diterpenoids from suspension cultured cells of Torreya nucifera var. radicans Yutaka Orihara, Jin-Wei Yang, Noriko Komiya, Kenji Koge,Takafumi Yoshikawa Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . gibberosene B C22H34O3 相似度:59.0% Journal of Natural Products 2008 71(2) 179-185 Oxygenated Cembranoids from a Formosan Soft Coral Sinularia gibberosa Atallah F. Ahmed, Zhi-Hong Wen, Jui-Hsin Su, Ya-Ting Hsieh, Yang-Chang Wu, Wan-Ping Hu, and Jyh-Horng Sheu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . 7,8-epoxy-1,3,11-cembratriene-15R(α),16-diol-20-carboxyaldehyde C20H30O4 相似度:59.0% Journal of Natural Products 2002 65 1809-1814 Semisynthesis of New Sarcophine Derivatives with Chemopreventive Activity Isamu Katsuyama, Hesham Fahmy,Jordan K. Zjawiony, Sherief I. Khalifa,Raouf W. Kilada,Takao Konoshima, Midori Takasaki, and Harakuni Tokuda Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . compound 2 C22H30O6 相似度:59.0% Chemical & Pharmaceutical Bulletin 1980 28 2035-2038 Studies on Marine Natural Products. III. Two New Cembranolides from the Soft Coral Lobophytum pauciflorum (Ehrenberg) YASUJI YAMADA,SUKEJI SUZUKI,KAZUO IGUCHI,HIROYUKI KIKUCHI,YASUMASA TSUKITANI and HARUO HORIAI Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . (1S,2R,4R)-cembra-7(E),11(E)-dien-2,4-diol C20H36O2 相似度:59.0% Chemistry of Natural Compounds 2007 43 143-148 SYNTHESIS OF N-METHYL UROCANATES OF HYDROXYDERIVATIVES OF ISOCEMBROL F. A. Valeev,1 Sh. M. Salikhov,O. Yu. Krasnoslobodtseva,B. T. Sharipov L. V. Spirikhin, and G. A. Tolstikov Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . 10-oxo-11,12-dihydrodepressin C20H30O2 相似度:59.0% Journal of Natural Products 2010 73 133-138 Rare Casbane Diterpenoids from the Hainan Soft Coral Sinularia depressa Yan Li, Marianna Carbone, Rosa Maria Vitale, Pietro Amodeo, Francesco Castelluccio, Giovanna Sicilia, Ernesto Mollo, Michela Nappo, Guido Cimino, Yue-Wei Guo and Margherita Gavagnin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . compound 2 C22H30O5 相似度:59.0% Chinese Journal of Marine Drugs 2007 26(6) 13-16 Studies on chemical constituents of soft coral Lobophytum mi-crolobulatum YANG Ruo-lin, KUANG Yun-yan, SU Jing-yu, ZENG Long-mei Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . 3,4-epoxy-nephthenol 相似度:59.0% Marine drugs 2010 8 2142-2152 Cytotoxic Cembranes from Indonesian Specimens of the Soft Coral Nephthea sp. Hedi Indra Januar,Ekowati Chasanah,Cherie A. Motti,Dianne M. Tapiolas,Catherine H. Liptrot and Anthony D. Wright Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . 6-aceotyliso-andalusol C22H36O4 相似度:59.0% Phytochemistry 1980 19 2405-2407 Diterpenoids from Sideritis foetens Maria C. Garcia-Alvarez, Benjamin Rodriguez Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . Craterellin B C22H34O5 相似度:59.0% Phytochemistry 2010 71 100-103 Rare merosesquiterpenoids from basidiomycete Craterellus odoratus and their inhibition of 11β-hydroxysteroid dehydrogenases Ling Zhang, Yu Shen, Fei Wang, Ying Leng, Ji-Kai Liu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . 3-acetoxy-15,16-epoxylabda-8,13(16),14-trien-7-one C22H30O4 相似度:59.0% Journal of the Chemical Society, Perkin Transactions 1 1979 1305-1308 Diterpenoids of Roylea calycina(Roxb.) Briq. Om Prakash, Dewan S. Bhakuni, Randhir S. Kapil, G. S. R. Subba Rao and Bhagavathula Ravindranath Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . compound L402 C22H30O5 相似度:59.0% Acta Scientiarum Naturalium Universitatis Sunyatseni 1982 21(2) 89-92 Studies on the Chinese Soft Corals (VIII) Su Jingyu Long Kanghou Jian Zhigang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . (2E,6E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)-1-(tetrahydro-2H-pyranyloxy)-2,6-nonadiene C25H42O2 相似度:58.3% Archiv der Pharmazie 2007 340 625-634 Synthesis,Antimicrobial and Antineoplastic Activities for Agelasine and Agelasimine Analogs with a β-Cyclocitral Derived Substituent Ágnes Proszenyák, Colin Charnock, Erik Hedner, Rolf Larsson, Lars Bohlin and Lise-Lotte Gundersen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . compound 7 C26H46O4Si 相似度:56.5% Chemical & Pharmaceutical Bulletin 1994 42 1798-1802 Indonesian Medicinal Plants. XI. Chemical Structures of Caesaldekarins a and b, Two New Cassane-Type Furanoditerpenes from the Roots of Caesalpinia major (Fabaceae) Isao KITAGAWA,Partomuan SIMANJUNTAK,Tomokazu WATANO,Hirotaka SHIBUYA,Satoshi FUJII,Yuriko YAMAGATA and Motomasa KOBAYASHI Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . compound 12 C25H36O4 相似度:56% Tetrahedron 1994 50 9893-9908 Scalemic 12-hydroxyambliofuran and 12-acetoxy-ambliofuran, five tetracyclic furanoditerpenes and a furanosesterterpene from Spongia sp. Philip A. Searle, Tadeusz F. Molinski Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 21 . Secotridentoquinone 相似度:54.5% Journal of Natural Products 2009 72 214-217 Structure and Absolute Configuration of the Fungal Ansabenzoquinone Rhizopogone Martin Lang, Erhard Jagers,Kurt Polborn, and Wolfgang Steglich Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 22 . (9S, 10S)-ent-9,10-epoxyverticillol C20H34O2 相似度:54.5% Phytochemistry 2005 66 1662-1670 ent-Verticillane-type diterpenoids from the Japanese liverwort Jackiella javanica Fumihiro Nagashima , Katsuhiro Kishi, Yuko Hamada,Shigeru Takaoka, Yoshinori Asakawa Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 23 . (9S,10S:13S,14S)-Ent-9,10:13,14-diepoxyverticillol 相似度:54.5% Phytochemistry 2005 66 1662-1670 ent-Verticillane-type diterpenoids from the Japanese liverwort Jackiella javanica Fumihiro Nagashima , Katsuhiro Kishi, Yuko Hamada,Shigeru Takaoka, Yoshinori Asakawa Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 24 . (9S,10S:13S,14S)-Ent-9,10:13,14-diepoxy-5-epiverticillol 相似度:54.5% Phytochemistry 2005 66 1662-1670 ent-Verticillane-type diterpenoids from the Japanese liverwort Jackiella javanica Fumihiro Nagashima , Katsuhiro Kishi, Yuko Hamada,Shigeru Takaoka, Yoshinori Asakawa Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 25 . phytyl hexadecanoate C36H70O2 相似度:54.5% Phytochemistry 2002 61 711-719 Three series of high molecular weight alkanoates found in Amazonian plants Alberto S. Pereira, Denilson S. Siqueira, Vladimir O. Elias, Bernd R.T. Simoneit,José A. Cabral, Francisco R. Aquino Neto Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 26 . 15-hydroxy-cis-clerodan-3-ene-18-oic acid C20H34O3 相似度:54.5% Journal of Natural Products 2003 66 316-319 cis-Clerodane Type Diterpenes from Cistus monspeliensis1 Eleftherios Kalpoutzakis, Nektarios Aligiannis, Alexios-Leandros Skaltsounis, and Sofia Mitakou Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 27 . (1S,3S,4S,7S,8S,11S,12R)-(+)-3,4:7,8-diepoxiverticillan-12-ol C20H34O2 相似度:54.5% Journal of Natural Products 2007 70 1167-1172 Absolute Configuration of Verticillane Diterpenoids by Vibrational Circular Dichroism Carlos M. Cerda-García-Rojas,Hugo A. García-Gutiérrez, Juan D. Hernández-Hernández,Luisa U. Román-Marín, and Pedro Joseph-Nathan Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 28 . furanolipid C21H34O 相似度:54.5% Journal of Natural Products 2007 70 1824-1826 Cytotoxic Metabolites from an Indonesian Sponge Lendenfeldia sp. Jingqiu Dai,Yang Liu,Yu-Dong Zhou, and Dale G. Nagle Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 29 . (6β)-5(R)-[2-(3-Furanyl)ethyl]-1,1,5,6-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalene C20H30O 相似度:54.5% Journal of Natural Products 2000 63 1623-1625 Synthesis of 16,18-Dihydroxycleroda-3,13Z-dien-16,15-olide,(+)-16-Hydroxycleroda-3,13Z-dien-16,15-olide, and (-)-Hydroxyhalima-5(10),13-dien-16,15-olide from (+)-Hardwickiic Acid Paulo M. Imamura, and Marta Costa Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 30 . 3β,11-dihydroxy-12-methoxyabieta-8,11,13-triene-7-one 相似度:54.5% Planta Medica 2002 68 764-766 Abietane Diterpenoids from Callus Cultures of Taxus baccata Barbara Monacelli,Gabriella Pasqua, Bruno Botta,Vittorio Vinciguerra, Eszter Gacs-Baitz,Giuliano Delle Monache Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 31 . compound 15 C20H28O3 相似度:54.5% Chemical & Pharmaceutical Bulletin 1988 36 2840-2852 Bioactive Marine Diterpenoids from Japanese Soft Coral of Clavularia sp. KENICHIRO MORI,KAZUO IGUCHI,NOBUKO YAMADA,YASUJI YAMADA and YOSHINOBU INOUYE Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 32 . taxayunnin C21H30O4 相似度:54.5% Chinese Chemical Letters 2001 12 429-430 A New Abietane Diterpenoid from the Barks of Taxus yunnanensis Sheng Hong LI, Hong Jie ZHANG, Ping YAO, Han Dong SUN Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 33 . taxayunnin C21H30O4 相似度:54.5% Journal of Asian Natural Products Research 2002 4 147-154 NON-TAXANE COMPOUNDS FROM THE BARK OF TAXUS YUNNANENSIS SHENG-HONG LI, HONG-JIE ZHANG, PING YAO, XUE-MEI NIU,WEI XIANG and HAN-DONG SUN Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 34 . 1(10)-halimadien-13ξ-ol C20H34O 相似度:54.5% Fitoterapia 2001 72 83-85 A new halimane-type diterpenoid from the liverwort Jungermannia infusca F. Nagashima, M. Suzuki, Y. Asakawa Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 35 . yuexiandajisu A C20H30O3 相似度:54.5% Phytochemistry 1998 49 149-151 Casbane Diterpenoids from Euphorbia Ebracteolata Zhi-Hong Xu, Jie Sun, Ren-Sheng Xu, Guo-Wei Qin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 36 . curcucomosin B C20H28O3 相似度:54.5% Journal of Natural Products 2010 73 724-728 Labdane Diterpenes from the Aerial Parts of Curcuma comosa Enhance Fetal Hemoglobin Production in an Erythroid Cell Line Ratchanaporn Chokchaisiri, Nattawara Chaneiam, Saovaros Svasti, Suthat Fucharoen, Jim Vadolas and Apichart Suksamrarn Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 37 . compound 1 C20H30O3 相似度:54.5% Journal of Natural Products 1990 Vol 53 1566 A New Casbane-Type Diterpenoid from Croton nepetaefolius Vera L. A. Moura, Francisco J. O. Monte, Raimundo Braz Filho Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 38 . (7R,8R,11S,12S,14R,1E,3E)-14-acetoxy-7,8:11,12-diepoxy-1-isopropylene-4,8,12-trimethylcyclotetradeca-1,3-diene C22H32O4 相似度:54.5% Journal of Natural Products 1993 Vol 56 521 Studies of Australian Soft Corals, XLIX. A New Biscembranoid and Its Probable Biosynthetic Precursors from the Soft Coral Sarcophyton tortuosum Priscila A. Leone, Bruce F. Bowden, Anthony R. Carroll, John C. Coll, George V. Meehan Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 39 . fregenedadiol 相似度:54.5% Phytochemistry 1996 41 1155-1157 Isofregenedadiol: A novel diterpenic diol from Halimium viscosum Isidro S. Marcos, Asunción Jorge, David Diez, Pilar Basabe, Anna M. Lithgow, Maria J. Sexmero, Narciso M. Garrido, Julio G. Urones Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 40 . compound 1a C20H28O2 相似度:54.5% Chinese Journal of Marine Drugs 2007 26(6) 13-16 Studies on chemical constituents of soft coral Lobophytum mi-crolobulatum YANG Ruo-lin, KUANG Yun-yan, SU Jing-yu, ZENG Long-mei Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 41 . 3,4-epoxy-nephthenol acetate C22H36O3 相似度:54.5% Marine drugs 2010 8 2142-2152 Cytotoxic Cembranes from Indonesian Specimens of the Soft Coral Nephthea sp. Hedi Indra Januar,Ekowati Chasanah,Cherie A. Motti,Dianne M. Tapiolas,Catherine H. Liptrot and Anthony D. Wright Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 42 . compound 2 相似度:54.5% Phytochemistry 1990 29 3042-3044 Fregenedadiol: A rearranged labdane from Halimium viscosum Jullo G. Urones,Isidro Sanchez Marcos,Narciso Martin Garrido,Rosalina F. Moro Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 43 . (3α,5α,17β)-3-Hydroxy-11-oxoandrostane-17-carbonitrile C20H29NO2 相似度:54.5% Bioorganic & Medicinal Chemistry Letters 2010 20 6680-6684 Neurosteroid analogues. 15. A comparative study of the anesthetic and GABAergic actions of alphaxalone, Δ16-alphaxalone and their corresponding 17-carbonitrile analogues Achintya K. Bandyopadhyaya, Brad D. Manion, Ann Benz, Amanda Taylor, Nigam P. Rath, Alex S. Evers, Charles F. Zorumski, Steven Mennerick, Douglas F. Covey Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 44 . (1S,2S,3E,7E,11E)-3,7,11,15-Cembratetraen-17,2-olide 相似度:54.5% Archives of Pharmacal Research 2010 33 503-508 Chemical components from the Vietnamese soft coral Lobophytum sp. Nguyen Huu Tung, Chau Van Minh, Phan Van Kiem, Hoang Thanh Huong and Nguyen Hoai Nam, et al. Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 45 . taxayunnin C21H30O4 相似度:54.5% Journal of Shenyang Pharmaceutical University 2011 28 360-363 Isolation and identification of chemical constituents of root of Girardinia suborbiculata C. J. Chen subsp. Triloba FENG Bao-min, LIU Jing-yan, WANG Hui-guo, SHI Li-ying, TANG Ling, WANG Yong-qi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 46 . malonganenone C C21H35NO2 相似度:54.5% Tetrahedron 2006 62 2200-2206 Malonganenones A–C, novel tetraprenylated alkaloids from the Mozambique gorgonian Leptogorgia gilchristi Robert A. Keyzers, Christopher A. Gray, Michael H. Schleyer, Catherine E. Whibley, Denver T. Hendricks, Michael T. Davies-Coleman Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 47 . Cacospongin A C20H30O 相似度:54.5% Tetrahedron 2000 56 9025-9030 New Terpenoids from a Cacospongia sp. from the Philippines Deniz Tasdemir, Gisela P. Concepción, Gina C. Mangalindan, Mary Kay Harper, Eduardo Hajdu, Chris M. Ireland Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 48 . 14(R),15(R):18(S),19(S)-diepoxy-lycopane C40H78O2 相似度:54.5% Tetrahedron 1999 55 167-176 Two terpenoid diepoxides from the green microalga Botryococcus braunii: Their biomimetic conversion to tetrahydrofurans and tetrahydropyrans Pierre Metzger Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 49 . 12-hydroxyambliofuran C20H30O2 相似度:54.5% Tetrahedron 1994 50 9893-9908 Scalemic 12-hydroxyambliofuran and 12-acetoxy-ambliofuran, five tetracyclic furanoditerpenes and a furanosesterterpene from Spongia sp. Philip A. Searle, Tadeusz F. Molinski Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 50 . dictyoxide 相似度:54.5% Tetrahedron 1991 47 1399-1410 New xenicane and hydroazulenoid diterpenes from an Australian collection of Dictyota divaricata Gabriele M König, Anthony D Wright, Otto Sticher Structure 13C NMR 碳谱模拟图 |
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