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bin85666666新虫 (小有名气)
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[求助]
微谱13C NMR数据库 查未知化合物结构
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化合物碳谱数据如下所示（CDCl3测）： 21.8,25.7,27.7,28.1,32.8,39.4,40.9,41.9,46.6,50.7,52.9,53.0,76.7,82.6,109.4,156.0 (最后四个信号可能各代表两个碳) 谢谢！ |
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火箭穿屁屁
木虫 (正式写手)
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【答案】应助回帖
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感谢参与，应助指数 +1
bin85666666: 金币+10, ★★★很有帮助 2012-08-31 15:47:53
感谢参与，应助指数 +1
bin85666666: 金币+10, ★★★很有帮助 2012-08-31 15:47:53
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查询结果：共查到199个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . (+)-Methyl selina-4,1 l-dien-l4-oate C16H24O2 相似度:62.5% Phytochemistry 1993 33 1147-1155 Fragrant sesquiterpenes from agarwood Masakazu Ishihara, Tomoyuki Tsuneya, Kenji Uneyama Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . Geigeranolide 相似度:62.5% Phytochemistry 1982 21 1679-1691 New sesquiterpene lactones, geranyllinalol derivatives and other constituents from Geigeria species Ferdinand Bohlmann, Christa Zdero, Maniruddin Ahmed Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . compound 16 相似度:62.5% Bioorganic & Medicinal Chemistry 1993 1 389-397 Synthesis and interaction studies of 13C labeled lactone derivatives with a model protein using 13C NMR Christelle Franot, Claude Benezra, Jean-Pierre Lepoittevin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . compound(major) C18H36O2Si 相似度:62.5% Tetrahedron 2005 61 10853-10860 Silicon guided rearrangement of epoxydecalines to spirocyclic compounds. Synthesis of gleenol and axenol from carvone Gonzalo Blay, Ana M. Collado, Begoña García, José R. Pedro Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . methyl-8α-hydroxy-grindelate-7β-O-7'β-ether hydrate C42H74O10 相似度:57.1% Phytochemistry 1992 31 3045-3049 Formation of grindelane dimers by microbial transformation Joseph J. Hoffmann, Louis K .Hutter, Steven J. Dentali, Karl H. Schram, Neil E. Mackenzie Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . illudiolone C15H24O3 相似度:56.2% Phytochemistry 2002 61 395-398 Sesquiterpenes from Omphalotus illudens Trevor C. McMorris, A. Kashinatham, Ricardo Lira, Henrik Rundgren, Peter K. Gantzel,Michael J. Kelner, Robin Dawe Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . 9β-hydroxy-2β-methoxyclovan-10-one C16H26O3 相似度:56.2% Journal of Natural Products 2004 67 793-798 Structure−Activity Relationships in the Fungistatic Activity against Botrytis cinerea of Clovanes Modified on Ring C Athina Deligeorgopoulou, Antonio J. Macas-Snchez, Daniel J.Mobbs, Peter B. Hitchcock, James R. Hanson, and Isidro G. Collado Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . (8S)-8-hydroxypatchoulol C15H26O2 相似度:56.2% Journal of Natural Products 1999 62 437-440 Biotransformation of the Fungistatic Sesquiterpenoid Patchoulol by Botrytis cinerea Josefina Aleu, James R. Hanson, Rosario Hernández Galán, and Isidro G. Collado Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . compound 2 相似度:56.2% Journal of Natural Products 1993 Vol 56 961 Two New Oxygenated Lobanes from a Soft Coral of Lobophytum Species of the Andaman and Nicobar Coasts B. Lakshmana Raju, Gottumukkala V. Subbaraju, Ch. Bheemasankara Rao, Golakoti Trimurtulu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . Trans-dihydrocarissone C15H26O2 相似度:56.2% Phytochemistry 1996 41 243-246 Two guaiane and eudesmane-type sesquiterpenoids from Neocallitropsis pancheri Phila Raharivelomanana, Jean-Pierre Bianchini, Robert Faure, Aimé Cambon, Marcel Azzaro Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . cedran-8α,9α,12-triol C15H26O3 相似度:56.2% Phytochemistry 1995 39 1081-1084 The biotransformation of 8-epicedrol and some relatives by Cephalosporium aphidicola Estelle Gand, James R. Hanson, Habib Nasir Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . compound 49 C14H20O 相似度:56.2% Canadian Journal of Chemistry 2006 84 1456-1469 Intramolecular [4 + 3] cycloadditions -Stereochemical issues in the cycloaddition reactions of cyclopentenyl cations - A synthesis of (+)-dactylol1 Michael Harmata, Paitoon Rashatasakhon, and Charles L. Barnes Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . (2R,5S,8R,9R)-isocaryolane-5,8,9-triol C15H26O3 相似度:56.2% Journal of Natural Products 2011 74 1707-1712 Biotransformation of Bioactive Isocaryolanes by Botrytis cinerea Jociani Ascari, Maria Am elia Diamantino Boaventura, Jacqueline Aparecida Takahashi, Rosa Dur an-Patr on, Rosario Hern andez-Gal an, Antonio J. Macías-S anchez, and Isidro G. Collado Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . (S)-3-bromo-1-((4R,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-yn-1-ol C15H25BrO3 相似度:56.2% The Journal of Organic Chemistry 2011 76 2029-2039 Enantioselective Synthesis of Possible Diastereomers of Heptadeca-1-ene-4,6-diyne-3,8,9,10-tetrol; Putative Structure of a Conjugated Diyne Natural Product Isolated from Hydrocotyle leucocephala Kavirayani R. Prasad and Bandita Swain Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . (S)-methyl 2-((4R,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate C15H28O5 相似度:56.2% The Journal of Organic Chemistry 2011 76 2029-2039 Enantioselective Synthesis of Possible Diastereomers of Heptadeca-1-ene-4,6-diyne-3,8,9,10-tetrol; Putative Structure of a Conjugated Diyne Natural Product Isolated from Hydrocotyle leucocephala Kavirayani R. Prasad and Bandita Swain Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . compound 14 相似度:56.2% Tetrahedron Letters 2000 41 10353-10356 A stereocontrolled total synthesis of (±)-norzizanone Lokesh Chandra Pati, Arnab Roy, Debabrata Mukherjee Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . compound 15 相似度:56.2% Tetrahedron Letters 2000 41 10353-10356 A stereocontrolled total synthesis of (±)-norzizanone Lokesh Chandra Pati, Arnab Roy, Debabrata Mukherjee Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . β-corymbolol 相似度:56.2% Phytochemistry 1988 27 179-181 Isolation of α-corymbolol,an eudesmane sesquiterpene diol from Cyperus articulatus B. Nyasse,R.Ghogomu tih,B.L. Sondengam,M.T. Martin,B. Bodo Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . trans-dihydrocarissone C15H26O2 相似度:56.2% Phytochemistry 1988 27 365-368 Stress compounds in the leaves of Nicotiana undulata induced by TMV inoculation Reiko Uegaki,Susumu Kubo,Takane Fujimori Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . cis-dihydroepijuvabione C15H26O3 相似度:56.2% Phytochemistry 1989 28 2617-2619 Sesquiterpenoids related to juvabione in Abies pinsapo Alejandro F. Barrero,Juan F. Sanchez,E.J. Alvarez-Manzaneda R.,M.Muñoz Dorado Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 21 . diol C15H28O2 相似度:56.2% Phytochemistry 1977 16 379-385 New sesquiterpenes from Pleocarphus revolutus Mario Silva, Alejandro Wiesenfeld, Peter G. Sammes, Thomas W. Tyler Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 22 . β-榄香烯 相似度:56.2% Journal of Shenyang Pharmaceutical University 2009 26 620-622 Chemical constituents of active pharmaceutical ingredients of elemene SUN Min-ge, LI Shu-bin, ZHOU Li, ZHANG Qing Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 23 . Boc-Leu-thiopiperidide 相似度:56.2% Bioorganic & Medicinal Chemistry 1996 4 2201-2209 Use of BOP-Cl in the presence of Boc-amino monothioacids for the thioacylation of iminoacid residues Hoang-Thanh Le, Jean-François Gallard, Michel Mayer, Eric Guittet, Robert Michelot Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 24 . chokolic acid B C13H22O3 相似度:56.2% Bioscience, Biotechnology, and Biochemistry 1994 58 1174-1176 Efficient Chemical Conversion of (±)-Chokol G to (±)-Chokols A, B, C, F, and K, Chokolic Acid B, and Chokolal A Shinji Tanimori, Takafumi Ueda, Mitsuru Nakayama Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 25 . isocaryophyllene 相似度:56.2% Tetrahedron 1995 51 3813-3822 Stereochemistry of 14-Hydroxy-β-caryophyllene and related compunds Alejandro F. Barero, José Molina, J. Enrique Oltra, Joaquin Altarejos, Armando Barragán, Armando Lara, Margot Segura Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 26 . 9β-hydroxyethyl-7α,8α-dihydroxy-4α,4β,8β,10β-tetramethyl-(trans)-decahydronaphthalen-6-one C16H28O4 相似度:56.2% Tetrahedron 1994 50 2055-2070 Studies toward the total synthesis of diterpenes in the labdane series. III. Synthesis of two epimeric 6, 7, 8-trihydroxylabdadienes Denyse Herlem, Françoise Khuong-Huu, Andrew S. Kende Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 27 . (-)-allokhusiol C15H26O 相似度:56.2% Tetrahedron 1990 46 761-774 Stereocontrolled synthesis of (-)-prezizanol,(-)-prezizaene, their epimers and (-)-allokhusiol Kazutoshi Sakurai, Takeshi Kitahara, Kenji Mori Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 28 . Cyperusol C C19H28O2 相似度:56.2% The Journal of Antibiotics 2010 63 245-250 Terpenoids produced by actinomycetes: isolation, structural elucidation and biosynthesis of new diterpenes, gifhornenolones A and B from Verrucosispora gifhornensis YM28-088 Masato Shirai, Masaaki Okuda, Keiichiro Motohashi, Masaya Imoto, Kazuo Furihata, Yoshihide Matsuo, Atsuko Katsuta, Yoshikazu Shizuri and Haruo Seto Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 29 . N-Boc-L-Leu-L-Leu methyl ester C18H34N2O5 相似度:56.2% Bioorganic & Medicinal Chemistry 2012 20 2002-2009 Cyclic dipeptides exhibit potency for scavenging radicals Tadashi Furukawa, Takashi Akutagawa, Hitomi Funatani, Toshikazu Uchida, Yoshihiro Hotta, Masatake Niwa, Yoshiaki Takaya Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 30 . (-)-β-Elemene 相似度:56.2% Natural Product Communications 2008 3 1473-1478 Cembranoid Diterpenes from the Soft CoralsSarcophyton sp. and Sarcophyton glaucum Daniela Grote, Kamel H. Shaker, Hesham S. M. Soliman, Muhammmad M. Hegazic andKarlheinz Seifert Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 31 . (3R*,3aS*,8S*,8aS*)-1,2,3,3a,6,7,8,8a-Octahydro-8-hydroxy-8a-methyl-3-(1-methylethyl)-5-azulenemethanol 相似度:56.2% Chemistry & Biodiversity 2011 8 643-650 Antiproliferative Compounds of Cyphostemma greveana from a Madagascar Dry Forest Shugeng Cao, Yanpeng Hou, Peggy Brodie, James S. Miller, Richard Randrianaivo, Etienne Rakotobe, Vincent E. Rasamison and David G. I. Kingston Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 32 . β-Elemene 相似度:56.2% Chemistry & Biodiversity 2011 8 624-642 Chemical Characterization (GC/MS and NMR Fingerprinting) and Bioactivities of South-African Pelargonium capitatum (L.) L' Her. (Geraniaceae) Essential Oil Alessandra Guerrini, Damiano Rossi, Guglielmo Paganetto, Massimiliano Tognolini, Mariavittoria Muzzoli, Carlo Romagnoli, Fabiana Antognoni, Silvia Vertuani, Alessandro Medici, Alessandro Bruni, Chiara Useli, Elena Tamburini, Renato Bruni and Gianni Sacche Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 33 . β-Elemene 相似度:56.2% Journal of Agricultural and Food Chemistry 1989 37 1032-1037 Sesquiterpene composition of basil oil. Assignment of the proton and NMR carbon-13 spectra of .beta.-elemene with two-dimensional NMR Emile M. Gaydou, Robert Faure, Jean Pierre Bianchini, Gerard Lamaty, Olivier Rakotonirainy, Robert Randriamiharisoa Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 34 . Methyl 17-carboxygrindelate C21H34O5 相似度:55% Phytochemistry 1993 34 97-95 Diterpenes from Chrysoma pauciflosculosa: Effects on Florida sandhill species Marios A. Menelaou, Jeffrey D. Weidenhamer, G.Bruce Williamson, Frank R. Fronczek, Helga D. Fischer, Leovigildo Quijano, Nikolaus H. Fischer Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 35 . schisanwilsonene B C17H28O3 相似度:52.9% Journal of Natural Products 2009 72 676-678 Schisanwilsonenes A-C, Anti-HBV Carotane Sesquiterpenoids from the Fruits of Schisandra wilsoniana Wen-Hui Ma, Hai Huang, Pei Zhou, and Dao-Feng Chen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 36 . 11,12-O-isopropylidenedebneyol /7-epi-11,12-O-isopropylidenedebneyol 相似度:52.9% Phytochemistry 1988 27 1365-1370 Sesquiterpenoids related to the phytoalexin debneyol from elicited cell suspension cultures of Nicotiana tabacum Ian M. Whitehead,David F. Ewing,David R. Threlfall Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 37 . 15-Acetoxy-9-hydroxy presilphiperfolan-4-oic acid C17H26O5 相似度:52.9% Phytochemistry Letters 2010 3 164-167 Sesquiterpenes from Xylaria sp., an endophytic fungus associated with Piper aduncum (Piperaceae) Geraldo H. Silva, Camila M. de Oliveira, Helder L. Teles, Patrícia M. Pauletti, Ian Castro-Gamboa, Dulce H.S. Silva, Vanderlan S. Bolzani, Maria C.M. Young, Claudio M. Costa-Neto, Ludwig H. Pfenning, Roberto G.S. Berlinck, Angela R. Araujo Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 38 . compound 7 相似度:52.9% Journal of the Chemical Society, Perkin Transactions 1 1982 861-864 Structures of the artabsinolides; photo-oxygenation studies on artabsin Josiane Beauhaire and Jean-Louis Fourrey Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 39 . compound 4b C19H33N 相似度:52.9% Bioorganic & Medicinal Chemistry 2009 17 1118-1124 Synthesis and in vitro anti-proliferative activity of β-elemene monosubstituted derivatives in HeLa cells mediated through arrest of cell cycle at the G1 phase Yanhong Sun, Guifeng Liu, Yuangqing Zhang, Hua Zhu, Yunfeng Ren, Yu-Mei Shen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 40 . 2,5-dideoxy-4-epi-fortimicin A tetrahydrochloride 相似度:52.9% The Journal of Antibiotics 1980 33 1289-1299 CHEMICAL MODIFICATION OF FORTIMICIN A TETSUO SUAMI, KIN-ICHI TADANO, KINYA MATSUZAWA Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 41 . (3R,4R,5S,9S,10S,11S)-3-S-(1,2-Dimercaptoethyl)-morelian-1,7-dione 1-ethylenedithioketal C19H30OS4 相似度:52.6% Journal of Natural Products 2004 67 189-193 Preparation of Moreliane-Derived Volatile Sesquiterpenes Carlos M. Cerda-Garca-Rojas, Mara A. Bucio, Luisa U. Romn, Juan D. Hernndez, and Pedro Joseph-Nathan Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 42 . (3S,4R,5S,9S,10S,11S)-3-S-(1,2-Dimercaptoethyl)morelian-1,7-dione 1-ethylenedithioketal C19H30OS4 相似度:52.6% Journal of Natural Products 2004 67 189-193 Preparation of Moreliane-Derived Volatile Sesquiterpenes Carlos M. Cerda-Garca-Rojas, Mara A. Bucio, Luisa U. Romn, Juan D. Hernndez, and Pedro Joseph-Nathan Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 43 . compound 4a C19H33N 相似度:52.6% Bioorganic & Medicinal Chemistry 2009 17 1118-1124 Synthesis and in vitro anti-proliferative activity of β-elemene monosubstituted derivatives in HeLa cells mediated through arrest of cell cycle at the G1 phase Yanhong Sun, Guifeng Liu, Yuangqing Zhang, Hua Zhu, Yunfeng Ren, Yu-Mei Shen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 44 . 5α-Androstan-1-one C19H30O 相似度:52.6% Organic Magnetic Resonance 1977 9 439-464 13C n.m.r. spectra of steroids —a survey and commentary J. W. Blunt and J. B. Stothers Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 45 . 5α-Androstan-11α-ol C19H32O 相似度:52.6% Organic Magnetic Resonance 1977 9 439-464 13C n.m.r. spectra of steroids —a survey and commentary J. W. Blunt and J. B. Stothers Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 46 . xylarenic acid C15H24O3 相似度:50% Helvetica Chimica Acta 2008 Vol. 91 46 Three New Sesquiterpenoids from Xylaria sp. NCY2 Zhi-Yu Hu, Yao-Yao Li, Yao-Jian Huang, Wen-Jin Su, and Yue-Mao Shen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 47 . Isomére (1R,2R,2'S,3S) C14H22O3 相似度:50% Helvetica Chimica Acta 2001 Vol. 84 2430 Epoxyesters p-menthaniques et pinaniques en milieu basique -Parfum de noix de coco Marie-Joséphe Bourgeois et Evelyne Montaudon Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 48 . (1R,2R,3S)-3-Hydroxy-6,6-diméthylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]-2',2'-dicarboxylate de méthyle C15H22O5 相似度:50% Helvetica Chimica Acta 2001 Vol. 84 2430 Epoxyesters p-menthaniques et pinaniques en milieu basique -Parfum de noix de coco Marie-Joséphe Bourgeois et Evelyne Montaudon Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 49 . schisanwilsonene A C15H26O2 相似度:50% Journal of Natural Products 2009 72 676-678 Schisanwilsonenes A-C, Anti-HBV Carotane Sesquiterpenoids from the Fruits of Schisandra wilsoniana Wen-Hui Ma, Hai Huang, Pei Zhou, and Dao-Feng Chen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 50 . bazzanenoxide C15H22O2 相似度:50% Chemical & Pharmaceutical Bulletin 2006 54(9) 1347-1349 Bazzanane Sesquiterpenoids from the New Zealand Liverwort Frullania falciloba Fumihiro NAGASHIMA,Masao TOYOTA, and Yoshinori ASAKAWA Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 51 . cadinane-4β,5α,10β-triol C15H28O3 相似度:50% Chemical & Pharmaceutical Bulletin 2003 51(8) 986-989 Cadinane-Type Sesquiterpenes from the Roots of Taiwania cryptomerioides HAYATA Yueh-Hsiung KUO, Chiou-Fung CHYU, and Hsiu-Chuan LIN Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 52 . dysodensiol E C15H24O3 相似度:50% Phytochemistry 2008 69 2993-2997 Terpenoids from Dysoxylum densiflorum Bo-Jun Xie, Sheng-Ping Yang, Jian-Min Yue Structure 13C NMR 碳谱模拟图 |
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