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heroqe

木虫 (小有名气)

[求助] 求助微谱数据库查询 三个化合物

化合物1:13.30,42.09,52.11,56.17,64.81,111.51,123.04,124.35,129.22,139.03,154.52,166.00,173.32
溶剂为氯仿

化合物2:20.94,22.31,23.17,23.32,23.56,24.44,30.95,35.61,38.81,40.35,53.14,58.99,114.60,124.49,129.06,143.03,143.20,165.95,168.85
溶剂为氯仿

化合物3:13.64,25.93,29.13,29.70,37.37,44.15,79.72,83.53,112.17,143.53
溶剂为氯仿
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感谢参与,应助指数 +1
查询结果:共查到41个化合物(查询结果仅供参考)  
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1 .     methyl 4-methoxy-3-(3'-hydroxy-2'-methyl)propionyloxy-benzoate
C13H16O6     相似度:100%
Journal of Asian Natural Products Research          2011          13          225-229
Two new compounds from an endophytic fungus Aspergillus sp. HS-05
Lin Zhang; Gang Chen; Hong-Hua Wu; Xuan Lu; Yue-Hu Pei; Xin Wu; Bo Pan; Hui-Ming Hua; Jiao Bai
Structure      13C NMR   碳谱模拟图

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2 .     Methyl 4-(3-chloropropoxy)-3-methoxybenzoate
    相似度:61.5%
Molecules          2010          15          4261-4266
Synthesis of Bosutinib from 3-Methoxy-4-hydroxybenzoic Acid
Xiao Jia Yin, Guan Hong Xu, Xu Sun, Yan Peng, Xing Ji, Ke Jiang and Fei Li
Structure      13C NMR   碳谱模拟图

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3 .     compound 1f
    相似度:61.5%
Tetrahedron Letters          2003          44          8939-8941
A novel arylation of arylacetic acid esters using tertiary arylamines and TiCl4
Mariappan Periasamy, N. KishoreBabu, Keela Natarajan Jayakumar
Structure      13C NMR   碳谱模拟图

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4 .     methyl 4-(3-methyl-2-butenoxy)-3-methoxybenzoate
C14H18O4     相似度:57.1%
Journal of Natural Products          1996          59          729-733
Isoprenyl Phenyl Ethers from Liverworts of the Genus Trichocolea: Cytotoxic Activity, Structural Corrections, and Synthesis
Nigel B. Perry, Lysa M. Foster, Stephen D. Lorimer, Barnaby C. H. May, and Rex T. Weavers
Structure      13C NMR   碳谱模拟图

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5 .     4,8-Dimethoxy-β-carboline-1-carboxylic acid methyl ester
    相似度:57.1%
Chemistry of Natural Compounds          2007          43          234-236
STERONES AND INDOLE ALKALOID FROM Ailanthus altissima CALLUS CULTURES
F. Bucar, M. F. Roberts, and H. R. El-Seedi
Structure      13C NMR   碳谱模拟图

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6 .     Methyl-(2z)-3-(N-oxy-3-ethoxycarbonyl-trans-(4-phenyl-4,5-dihydro-isoxazol-5-yl))propyl-2-enolate
C16H17NO4     相似度:57.1%
Canadian Journal of Chemistry          2009          87          760-774
Novel formation of isoxazoline N-oxide in addition to Michael adduct from the reaction of β-nitrostyrenes with 2-methoxyfuran -Experimental and theoretical studies
Kuniaki Itoh, Shigehisa Kishimoto, and Kazuo Sagi
Structure      13C NMR   碳谱模拟图

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7 .     Methyl 2-(1-ethyl-3-hydroxy-2-oxoindolin-3-yl)acrylate
C14H15NO4     相似度:57.1%
Canadian Journal of Chemistry          2009          87          591-599
Activation of the NC-H bond of Morita-Baylis-Hillman adducts of N-substituted isatins with cerium ammonium nitrate (CAN) and alcohol (ROH)
Ponnusamy Shanmugam and Vadivel Vaithiyanathan
Structure      13C NMR   碳谱模拟图

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8 .     (±)-(4R,5S)-7-Ethyl-2-methyl-4-phenyl-2,7,9-triazaspiro[4.5]decane-6,8-dione
C16H21N3O2     相似度:57.1%
Molecules          2010          15          2269-2301
Synthesis of Dihydrouracils Spiro-Fused to Pyrrolidines: Druglike Molecules Based on the 2-Arylethyl Amine Scaffold
Daniel Blanco-Ania, Carolina Valderas-Cortina, Pedro H.H. Hermkens, Leo A.J.M. Sliedregt, Hans W. Scheeren and Floris P.J.T. Rutjes
Structure      13C NMR   碳谱模拟图

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9 .     compound 4a
    相似度:53.8%
Phytochemistry          2000          54          979-981
Constituents of Chondria armata
Mangala B. Govenkar, Solimabi Wahidulla
Structure      13C NMR   碳谱模拟图

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10 .     Diethyl (2E,2'E)-3,3'-{4-[(4-Bromobenzyl)oxy]pyridine-2,6-diyl}bisprop-2-enoate
C22H23BrNO5     相似度:53.8%
Helvetica Chimica Acta          2012          95          197-210
Trinuclear Non-Heme Iron Complexes Based on 4-Substituted 2,6-Diacylpyridine Ligands as Catalysts in Aerobic Allylic Oxidations
Volker Rabe, Wolfgang Frey, Angelika Baro, and Sabine Laschat
Structure      13C NMR   碳谱模拟图

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11 .     compound (9R,9aR)-1
C13H16N2O2     相似度:53.8%
Organic letters          2001          3          1141-1144
A Convergent Approach to the Mitomycin Ring System
Robert S. Coleman and Wei Chen
Structure      13C NMR   碳谱模拟图

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12 .     ethyl 2-(3-oxo-2,3-dihydro-1H-isoindol-1-yl)acrylate
C13H13NO3     相似度:53.8%
Journal of Heterocyclic Chemistry          2003          40          939-941
Application of baylis-hillman methodology in a new synthesis of 3-oxo-2,3-dihydro-1H-isoindoles
Young Seok Song,Chang Hoon Lee and Kee-Jung Lee
Structure      13C NMR   碳谱模拟图

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13 .     3,4-dihydro-2H-cyclopentaindol-1-one
C11H9NO     相似度:53.8%
Journal of Heterocyclic Chemistry          2002          39          965-973
Efficient photochemical synthesis of tricyclic keto-indoles
Christèle Tietcheu, Christophe Garcia, Daniel Gardette, Denise Dugat and Jean-Claude Gramain
Structure      13C NMR   碳谱模拟图

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14 .     compound 12c
C19H22ClNO3S2     相似度:53.8%
Indian Journal of Chemistry          2008          47B          1713-1725
Synthesis of a new class of 2-oxazolines and 2-thiazolines
Padmaja,A; Payani,T; Mahesh,K
Structure      13C NMR   碳谱模拟图

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15 .     compound 12d
C19H22ClNO3S2     相似度:53.8%
Indian Journal of Chemistry          2008          47B          1713-1725
Synthesis of a new class of 2-oxazolines and 2-thiazolines
Padmaja,A; Payani,T; Mahesh,K
Structure      13C NMR   碳谱模拟图

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16 .     3,6-Dibromo-9-(2-octyl)-9H-carbazole
C20H23Br2N     相似度:53.8%
Tetrahedron Letters          2002          43          2187-2190
N-Alkylation of 1H-indoles and 9H-carbazoles with alcohols
Agnes Bombrun, Giulio Casi
Structure      13C NMR   碳谱模拟图

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17 .     Ethyl 3,3-bis(4-bromophenyl)acrylate
    相似度:53.8%
Tetrahedron          2012          68          1466-1474
Palladium-catalyzed double arylations of terminal olefins in acetic acid
Daichao Xu, Chunxin Lu, Wanzhi Chen
Structure      13C NMR   碳谱模拟图

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18 .     methyl 3-methoxy-4-phenylaminobenzoate
C15H15NO3     相似度:53.8%
Heterocycles          2002          57          259-267
A Concise Synthesis of the Natural Carbazole Mukonine
Alejandra Zempoalteca and Joaquín Tamariz*
Structure      13C NMR   碳谱模拟图

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19 .     2-Thioxo-3-N-(2-ethoxyphenyl) thiazolidin-4-one
    相似度:53.8%
Molecules          2012          17          3501-3509
Synthesis and Structural Determination of Novel 5-Arylidene-3-N(2-alkyloxyaryl)-2-thioxothiazolidin-4-ones
Khaled Toubal, Ayada Djafri, Abdelkader Chouaih and Abdou Talbi
Structure      13C NMR   碳谱模拟图

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20 .     methyl (R)-2-{[(tert-butoxycarbonyl)amino](4-nitrophenyl)meth-yl}acrylate and methyl (S)-2-{[(tert-butoxycarbonyl)amino](4-nitrophenyl)methyl}acrylate
C16H20N2O6     相似度:53.8%
European Journal of Organic Chemistry          2011                   7199-7206
Synthesis of Enantiomerically Pure 3-Amino-2-methylenealkanoates (Aza-Morita–Baylis–Hillman Adducts) Mediated by Cinchona Alkaloids
Gianluca Martelli, Mario Orena and Samuele Rinaldi
Structure      13C NMR   碳谱模拟图

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21 .     benzyl 2'-methyl-5'-(3''-methoxy-3''-oxopropionyloxy)pent-2-enyl carbonate
C18H22O7     相似度:53.8%
European Journal of Organic Chemistry          2011                   6519-6526
Cross-Metathesis Reactions of Homoallyl Methyl Malonates with Sterically Hindered Allylic Esters
Fabio Barile, Mauro Bassetti, Andrea D'Annibale, Renzo Gerometta and Michele Palazzi
Structure      13C NMR   碳谱模拟图

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22 .     1-acetoxy-2-ethyl-5-(3'-methoxy-3'-oxopropionyloxy)-2-pentene
C13H20O6     相似度:53.8%
European Journal of Organic Chemistry          2011                   6519-6526
Cross-Metathesis Reactions of Homoallyl Methyl Malonates with Sterically Hindered Allylic Esters
Fabio Barile, Mauro Bassetti, Andrea D'Annibale, Renzo Gerometta and Michele Palazzi
Structure      13C NMR   碳谱模拟图

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23 .     4'-methoxyflavonol
C16H12O4     相似度:53.8%
Journal of Medicinal Chemistry          2008          51          1874-1884
Understanding the Cardioprotective Effects of Flavonols: Discovery of Relaxant Flavonols without Antioxidant Activity
Cheng Xue Qin, Xingqiang Chen, Richard A. Hughes, Spencer J. Williams and Owen L. Woodman
Structure      13C NMR   碳谱模拟图

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24 .     2-nitro-N-phenyl-5-(piperazin-1-yl)benzamide
C17H18N4O3     相似度:53.8%
Bioorganic & Medicinal Chemistry          2012          20          6260-6275
Development and characterization of endocannabinoid hydrolases FAAH and MAGL inhibitors bearing a benzotriazol-1-yl carboxamide scaffold
Ludovica Morera, Geoffray Labar, Giorgio Ortar, Didier M. Lambert
Structure      13C NMR   碳谱模拟图

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25 .     Methyl 2-(tert-butoxycarbonylamino)-3-(2,3-dimethoxyphenyl)propanoate
C17H25NO6     相似度:53.3%
Tetrahedron          2012          68          2027-2040
Electronically rich N-substituted tetrahydroisoquinoline 3-carboxylic acid esters: concise synthesis and conformational studies
Rami A. Al-Horani, Umesh R. Desai
Structure      13C NMR   碳谱模拟图

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26 .     Methyl 2-(3-hydroxy-2-oxo-1-((prop-2-ynyloxy)methyl)indolin-3-yl)acrylate
C16H15NO5     相似度:50%
Canadian Journal of Chemistry          2009          87          591-599
Activation of the NC-H bond of Morita-Baylis-Hillman adducts of N-substituted isatins with cerium ammonium nitrate (CAN) and alcohol (ROH)
Ponnusamy Shanmugam and Vadivel Vaithiyanathan
Structure      13C NMR   碳谱模拟图

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27 .     Methyl 2-(3-hydroxy-1-(methyl 2-methoxyacetate)-2-oxoindolin-3-yl)acrylate
C16H17NO7     相似度:50%
Canadian Journal of Chemistry          2009          87          591-599
Activation of the NC-H bond of Morita-Baylis-Hillman adducts of N-substituted isatins with cerium ammonium nitrate (CAN) and alcohol (ROH)
Ponnusamy Shanmugam and Vadivel Vaithiyanathan
Structure      13C NMR   碳谱模拟图

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28 .     5-[Methyl 4'-(2'-methyl-4-oxobutanoate)]indole
C14H16NO3     相似度:50%
Planta Medica          2011          77          1559-1561
Simple Indole Alkaloids from the Neotropical Rutaceous Tree Raputia simulans
Konstantina Vougogiannopoulou, Nikolas Fokialakis, Nektarios Aligiannis, Charles Cantrell, Alexios-Leandros Skaltsounis
Structure      13C NMR   碳谱模拟图

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29 .     4-Bromo-6-methoxyflav-3-ene
C16H13BrO2     相似度:50%
Bioorganic & Medicinal Chemistry          2012          20          1527-1534
Synthesis and antiplasmodial evaluation of novel chromeno[2,3-b]chromene derivatives
Ruth Devakaram,David StC. Black,Vanida Choomuenwai,Rohan A. Davis,Naresh Kumar
Structure      13C NMR   碳谱模拟图

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30 .     Cryptogione E
C18H18O4     相似度:50%
Phytochemistry          2012          76          98-105
Anti-inflammatory flavonoids from Cryptocarya chingii
Rui Feng,Zhi Kai Guo,Chun Min Yan,Er Guang Li,Ren Xiang Tan,Hui Ming Ge
Structure      13C NMR   碳谱模拟图

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31 .     compound 4(major isomer)
C23H27NO4     相似度:50%
Heterocycles          2008          75          2429-2441
Aldolisation and Carboxylation Reactions from α-Silyl-β-lactams. A Combined Theoretical and Experimental Study
Sabrina Parat, Béatrice Pelotier, Lycia Fournier, Michel Rajzmann, Philip J. Kocienski, and Jean-Marc Pons
Structure      13C NMR   碳谱模拟图

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32 .     4'-Methoxyphenethyl vanillate
C17H22O5N     相似度:50%
Bioorganic & Medicinal Chemistry          2008          16          3218-3223
Novel coumarin glycoside and phenethyl vanillate from Notopterygium forbesii and their binding affinities for opioid and dopamine receptors
Zhongze Ma, Wei Xu, Lee-Yuan Liu-Chen, David Y.W. Lee
Structure      13C NMR   碳谱模拟图

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33 .     2,12-Bisisobutylsulfanyl-7-oxa-[5]-helicene
C28H28S2O     相似度:50%
Tetrahedron Letters          2004          45          3067-3070
A concise synthesis of functionalized 7-oxa-[5]-helicenes
Jetsuda Areephong, Nopporn Ruangsupapichart, Tienthong Thongpanchang
Structure      13C NMR   碳谱模拟图

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34 .     compound 5b
C20H14Cl2N4O2     相似度:50%
Tetrahedron Letters          2005          46          273-276
A practical synthesis of LFA-1 inhibitors utilizing CuCl-promoted intramolecular cyclization of thiohydantoins
Xiao-jun Wang, Li Zhang, Yibo Xu, Dhileepkumar Krishnamurthy, Richard Varsolona, Laurence Nummy, Sherry Shen, Rogelio P. Frutos, Denis Byrne, J.C. Chung, Vittorio Farina, Chris H. Senanayake
Structure      13C NMR   碳谱模拟图

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35 .     3-Hydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one
    相似度:50%
Archiv der Pharmazie          2000          333          226-230
Diazabicyclo[3.3.1]nonanone-type Ligands for the Opioid Receptors
Ulrich Kuhl, Werner Englberger, Michael Haurand and Ulrike Holzgrabe
Structure      13C NMR   碳谱模拟图

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36 .     Ethyl 6,7-dichloro-1-[(E)-buta-1,3-dienyl]-1,4-dihydro-4-oxoquinoline-3-carboxylate
C16H13Cl2NO3     相似度:50%
Bioorganic & Medicinal Chemistry          2000          8          1407-1413
Synthesis of acyclic 6,7-dihaloquinolone nucleoside analogues as potential antibacterial and antiviral agents
Najim A Al-Masoudi, Yaseen A Al-Soud, Michael Eherman, Erik De Clercq
Structure      13C NMR   碳谱模拟图

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37 .     4-azido-2,3-dihydro-1-(N,N-dimethylsulfamoyl)-1H-indole-5-(N-phenyl)carboxamide
C17H18N6O3S     相似度:50%
Heterocycles          2001          55          2289-3304
Regioselective ortho-Directed Metalation and Electrophilic Substitution of Indole- and Indoline-5-(N-phenyl)carboxamides
Jean-François Rousseau and Robert H. Dodd
Structure      13C NMR   碳谱模拟图

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38 .     N-(3-chloro-4-methoxyphenylethyl)butylacetamide
    相似度:50%
Bioorganic & Medicinal Chemistry          2009          17          4968-4980
Tetrahydroisoquinolines as dopaminergic ligands: 1-Butyl-7-chloro-6-hydroxy-tetrahydroisoquinoline, a new compound with antidepressant-like activity in mice
Inmaculada Berenguer, Noureddine El Aouad, Sebastián Andujar, Vanessa Romero, Fernando Suvire, Thomas Freret, Almudena Bermejo, María Dolores Ivorra, Ricardo D. Enriz, Michel Boulouard, Nuria Cabedo, Diego Cortes
Structure      13C NMR   碳谱模拟图

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39 .     (E)-butyl 3-(2-azidophenyl)-2-nitromethylpropenoate
C14H16N4O4     相似度:50%
Journal of Heterocyclic Chemistry          2011          48          965-972
Using Morita–Baylis–Hillman acetates of 2-azidobenzaldehydes for the synthesis of 2-alkoxy-3-cyanomethylquinolines and alkyl quinoline-3-carboxylates
Hea Jung Kim, Eun Mi Jeong and Kee-Jung Lee
Structure      13C NMR   碳谱模拟图

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40 .     Nosyl-D,L-Phe(β-OH)(N-Et)-OMe
C18H20N2O7S     相似度:50%
European Journal of Organic Chemistry          2010                   6731-6735
Synthesis of Novel Nonproteinogenic Amino Acids: N-Ethyl-α,β-dehydroamino Acid Methyl Esters
Luís S. Monteiro, Joanna Kołomańska and Ana C. Suarez
Structure      13C NMR   碳谱模拟图
2楼2013-01-06 14:04:51
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

sunwen1111

银虫 (正式写手)

【答案】应助回帖

查询结果:共查到77个化合物(查询结果仅供参考)  
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1 .     fructigenines B
C24H31N3     相似度:78.2%
Chinese Journal of Marine Drugs          2006          25(6)          1-6
Antitumor components from sponge-derived fungus Penicillium auratiogriseum Sp-19
XIN Zhi-hong, FANG Yu-chun, ZHU Tian-jiao, DUAN Lin, GU Qian-qun, ZHU Wei-ming
Structure      13C NMR   碳谱模拟图

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2 .     verrucofortine
C24H30N3O3     相似度:75%
Journal of Natural Products          1988          Vol 51          66
Verrucofortine, a Major Metabolite of Penicillium verrucosum var. Cyclopium, the Fungus That Produces the Mycotoxin Verrucosidin
Richard P. Hodge, Constance M. Harris, Thomas M. Harris
Structure      13C NMR   碳谱模拟图

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3 .     allobrevicompanine B
    相似度:72.7%
Chemical & Pharmaceutical Bulletin          2009          57          873-876
Diketopiperazine Alkaloids from a Deep Ocean Sediment Derived Fungus Penicillium sp.
Lin Du, Xinying Yang, Tianjiao Zhu, Fengping Wang, Xiang Xiao, Hyun Park and Qianqun Gu
Structure      13C NMR   碳谱模拟图

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4 .     fructigenine B
C24H31N3O3     相似度:70.8%
Chemical & Pharmaceutical Bulletin          1989          37          2937-2939
Structures of Fructigenines A and B, New Alkaloids Isolated from Penicillium fructigenum TAKEUCHI
Kunizo ARAI,Kazutake KIMURA,Taisei MUSHIRODA and Yuzuru YAMAMOTO
Structure      13C NMR   碳谱模拟图

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5 .     compound 3
    相似度:70.8%
Heterocycles          2006          68          1969-1972
New Dioxomorpholine Derivatives, Javanicunine A and B, from Eupenicillium javanicum
Shou Nakadate, Koohei Nozawa,* Hitoshi Horie, Yuichi Fujii, Masahiro Nagai, Shin-ichirou Komai, Tomoo Hosoe, Ken-ichi Kawai, Takashi Yaguchi, and Kazutaka Fukushima
Structure      13C NMR   碳谱模拟图

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6 .     brevicompanine B
22H29N3O2     相似度:65%
Heterocycles          2001          54          727-733
Synthesis of Brevicompanines, Plant Growth Regulators
Koji Matsumura and Takeshi Kitahara
Structure      13C NMR   碳谱模拟图

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7 .     javanicunine A
C24H30N2O4     相似度:62.5%
Heterocycles          2006          68          1969-1972
New Dioxomorpholine Derivatives, Javanicunine A and B, from Eupenicillium javanicum
Shou Nakadate, Koohei Nozawa,* Hitoshi Horie, Yuichi Fujii, Masahiro Nagai, Shin-ichirou Komai, Tomoo Hosoe, Ken-ichi Kawai, Takashi Yaguchi, and Kazutaka Fukushima
Structure      13C NMR   碳谱模拟图

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8 .     javanicunine B
C24H30N2O5     相似度:62.5%
Heterocycles          2006          68          1969-1972
New Dioxomorpholine Derivatives, Javanicunine A and B, from Eupenicillium javanicum
Shou Nakadate, Koohei Nozawa,* Hitoshi Horie, Yuichi Fujii, Masahiro Nagai, Shin-ichirou Komai, Tomoo Hosoe, Ken-ichi Kawai, Takashi Yaguchi, and Kazutaka Fukushima
Structure      13C NMR   碳谱模拟图

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9 .     1-methoxycarbonyl-3-methylbutyl 4-tert-Butoxycarbonylamino-6-methyl-3-oxoheptanoate
C20H35NO7     相似度:57.8%
Journal of Natural Products          2007          70          1073-1083
Antineoplastic Agents. 561. Total Synthesis of Respirantin
George R. Pettit,Thomas H. Smith, Song Feng, John C. Knight, Rui Tan, Robin K. Pettit, and Peter A. Hinrichs
Structure      13C NMR   碳谱模拟图

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10 .     1-Methyl-2-{[(1R,2R,5R)-6,6-dimethylbicyclo[3.1.1]heptyl-2]methylsulfonyl}-1H-imidazole
C14H22N2O2S     相似度:57.8%
Chemistry of Natural Compounds          2012          48          38-42
SYNTHESIS OF NEW MONOTERPENE SULFONYLIMIDAZOLES
M. Ya. Demakova,D. V. Sudarikov,S. A. Rubtsova,L. L. Frolova,and A. V. Kuchin
Structure      13C NMR   碳谱模拟图

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11 .     (6R,7R,13R,14R,15S)-14-Hydroxy-1-(p-toluenesulfonyl)-tetradecahydro-6,13-methano-dipyrido[1,2-a;3',2'-e]azocin-12-one
C22H28N2O4S     相似度:55%
Journal of the American Chemical Society          1999          121          700-709
Total Synthesis of (+)-Aloperine. Use of a Nitrogen-Bound Silicon Tether in an Intramolecular Diels−Alder Reaction
Arthur D. Brosius, Larry E. Overman, and Lothar Schwink
Structure      13C NMR   碳谱模拟图

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12 .     Brevicompanine B
C22H29N3O2     相似度:54.5%
Journal of the Chemical Society, Perkin Transactions 1          1998                   2823-2826
Brevicompanines A and B: new plant growth regulators produced by the fungus, Penicillium brevicompactum
Miyako Kusano, Go Sotoma, Hiroyuki Koshino, Jun Uzawa, Masao Chijimatsu, Shozo Fujioka, Tsuyoshi Kawano and Yasuo Kimura
Structure      13C NMR   碳谱模拟图

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13 .     brevicompanine D
C23H31N3O3     相似度:54.1%
Chemical & Pharmaceutical Bulletin          2009          57          873-876
Diketopiperazine Alkaloids from a Deep Ocean Sediment Derived Fungus Penicillium sp.
Lin Du, Xinying Yang, Tianjiao Zhu, Fengping Wang, Xiang Xiao, Hyun Park and Qianqun Gu
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




14 .     hydratoisoxeniolone
C20H34O3     相似度:52.6%
Chemical & Pharmaceutical Bulletin          1986          34          4641-4652
Marine Natural Products. XVI. : Structures of Five New Diterpenes from an Okinawan Soft Coral of Xenia sp. (Xeniidae)
ISAO KITAGAWA,CUI ZHENG,YANG CAI,MOTOMASA KOBAYASHI and YOSHIMASA KYOGOKU
Structure      13C NMR   碳谱模拟图

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15 .     4-amorphen-11,15-diol,15-malonate eseter
C18H26O4     相似度:52.6%
Phytochemistry          1994          35          425-433
The sesquiterpenes of Fabiana imbricata
Geoffrey D. Brown
Structure      13C NMR   碳谱模拟图

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16 .     10-spirocyclohexane-2,3,4,10,11,11a-hexahydro-1H-dibenzo[b,e][1,4]diazepine
    相似度:52.6%
Indian Journal of Chemistry          2006          45B          2716-2719
An expeditious synthesis of 1,5-benzodiazepine derivatives catalyzed by CdCl2
Pasha,M A; Jayashankara,V P
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




17 .     10-spirocyclohexane-2,3,4,10,11,11a-hexahydro-1H-dibenzo[b,e][1,4]diazepine
C18H24N2     相似度:52.6%
Heterocycles          2006          68          1017-1023
Synthesis of 1,5-Benzodiazepine Derivatives Catalysed by Zinc Chloride
Mohamed Afzal Pasha* and Vaderapura Puttaramegowda Jayashankara
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




18 .     (E and Z)-N-[(1R*,2R*)-2-Chlorocyclohexyl]-N'-[(4-methylphenyl)sulfonyl]ethanimidamide
C15H21ClN2O2S     相似度:52.6%
Helvetica Chimica Acta          2010          93          233-241
Copper-Catalyzed Ritter-Type Reaction of Unactivated Alkenes with Dichloramine-T
Takumi Abe, Hiroyuki Takeda, Yoshihisa Miwa, Koji Yamada, Reiko Yanada and Minoru Ishikura
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




19 .     α-4-Flurobenzylcyclododecanone
    相似度:52.6%
Molecules          2010          15          699-708
Facile Synthesis and Preferred Conformation Analysis of Cyclododecenoindene
Chunyan Zhang, Shengyan Gong, Li Zhang, Daoquan Wang and Mingan Wang
Structure      13C NMR   碳谱模拟图

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20 .     α-4-Methoxybenzylcyclododecanone
    相似度:52.6%
Molecules          2010          15          699-708
Facile Synthesis and Preferred Conformation Analysis of Cyclododecenoindene
Chunyan Zhang, Shengyan Gong, Li Zhang, Daoquan Wang and Mingan Wang
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




21 .     5,6,8,9,10,11-hexahydro-4Hdibenzo[de,h]quinolin-7-ol
    相似度:52.6%
Magnetic Resonance in Chemistry          2003          41          545-548
Complete 1H and 13C NMR spectral assignment of hydrogenated oxoisoaporphine derivatives
Eduardo Sobarzo-Sánchez, Bruce K. Cassels and Luis Castedo
Structure      13C NMR   碳谱模拟图

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22 .     10-Spirocyclohexan-2,3,4,10,11,11a-hexahydro-1Hdibenzo[b,e][1,4]diazepine
    相似度:52.6%
Tetrahedron Letters          2001          42          3193-3195
Ytterbium triflate promoted synthesis of 1,5-benzodiazepine derivatives
Massimo Curini, Francesco Epifano, Maria C Marcotullio, Ornelio Rosati
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




23 .     compound 2g
    相似度:52.6%
Tetrahedron Letters          2005          46          5387-5391
Facile synthesis of 2H-indazole derivatives starting from the Baylis-Hillman adducts of 2-cyclohexen-1-one
Ka Young Lee, Saravanan Gowrisankar, Jae Nyoung Kim
Structure      13C NMR   碳谱模拟图

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24 .     (3S,8aS)-3-(3-Methylbutyl)-3-(2-phenylethyl)-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
C20H28N2O2     相似度:52.6%
Zeitschrift für Naturforschung B          2002          57          377-382
Novel Tandem Cyclisations at the Piperazinedione Ring via Cope Rearrangement
S. Jin and J. Liebscher
Structure      13C NMR   碳谱模拟图

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25 .     S-ethyl 3-N'-benzoylhydrazino-2,2,5-trimethylthiohexanoate
C18H28N2O2S     相似度:52.6%
Heterocycles          2000          52          1143-1162
Mannich Type Reactions of Acylhydrazones with Silyl Enolates for the Synthesis of β-Amino Ester, β-Amino Ketone, β-Lactam, Pyrazolidinone, and Pyrazolone Derivatives
Osamu Okitsu, Hidekazu Oyamada, Takayuki Furuta, and Shu Kobayashi*
Structure      13C NMR   碳谱模拟图

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26 .     tetraacetyl isolissoclinotoxin
    相似度:52.6%
Tetrahedron          1994          50          5323-5334
Lissoclinotoxins: Antibiotic polysulfur derivatives from the tunicate Lissoclinum perforatum. Revised structure of lissoclinotoxin A
Marc Litaudon, François Trigalo, Marie-Thérése Martin, François Frappier, Michéle Guyot
Structure      13C NMR   碳谱模拟图

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27 .     compound 11
    相似度:52.6%
Tetrahedron          1986          42          2707-2716
13C NMR and 1H lanthanide induced shifts of naturally occurring alkamides with cyclic amide moieties -amides from achilleafalcata
Otmar Hofer, Harald Greger, Wolfgang Robien, Andreas Werner
Structure      13C NMR   碳谱模拟图

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28 .     (6R,10R)-2,6,10,14-tetramethylpentadeca-1,3-diene
C19H36     相似度:52.6%
European Journal of Organic Chemistry          2010                   2218-2225
A Straightforward Hetero-Diels–Alder Approach to (2-ambo,4′R,8′R)-α/β/γ/δ-4-Thiatocopherol
Stefano Menichetti, Riccardo Amorati, Maria Grazia Bartolozzi, Gian Franco Pedulli, Antonella Salvini and Caterina Viglianisi
Structure      13C NMR   碳谱模拟图

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29 .     acetylmirabilin-E
C19H27N3O2     相似度:52.6%
Australian Journal of Chemistry          1996          49          767-773
Mirabilins (A-F): New Alkaloids From a Southern Australian Marine Sponge, Arenochalina mirabilis
RA Barrow, LM Murray, TK Lim and RJ Capon
Structure      13C NMR   碳谱模拟图

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30 .     Protubonine A
C19H23N3O4     相似度:52.6%
Journal of Natural Products          2011          74          1284-1287
Protuboxepins A and B and Protubonines A and B from the Marine-Derived Fungus Aspergillus sp. SF-5044
Sang Un Lee, Yukihiro Asami, Dongho Lee, Jae-Hyuk Jang, Jong Seog Ahn, and Hyuncheol Oh
Structure      13C NMR   碳谱模拟图

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31 .     compound
C18H24N2     相似度:52.6%
Journal of the Brazilian Chemical Society          2007          18          291-296
p-Nitrobenzoic Acid Promoted Synthesis of 1,5-enzodiazepine Derivatives
Ravi Varala, Ramu Enugala and Srinivas R. Adapa
Structure      13C NMR   碳谱模拟图

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32 .     ent-11α-hydroxyatis-13,16-diene
C20H30O     相似度:52.3%
Journal of Natural Products          1989          Vol 52          669
Acid-Catalyzed Rearrangement of ent-Atis-13,16-dienes
E. Cabrera, A. Garcia-Granados, M. Hervas
Structure      13C NMR   碳谱模拟图

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33 .     17β-hydroxy-4-androsteno[2,3-d]-3'-methylthioisoxazole
    相似度:52.3%
Indian Journal of Chemistry          2006          45B          959-966
A facile synthesis of steroidal pyrazoles,isoxazoles and pyrimidines from testosterone
Singh,Ch Brajakishor; Singh,L Warjeet
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




34 .     compound 10
C21H31NO     相似度:52.3%
Tetrahedron          2000          56          3071-3076
New Isocyano and Isothiocyanato Terpene Metabolites from the Tropical Marine Sponge Acanthella cavernosa
Richard J. Clark, Bronwin L. Stapleton, Mary J. Garson
Structure      13C NMR   碳谱模拟图

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35 .     acetylmirabilin-D
C21H30N3O3     相似度:52.3%
Australian Journal of Chemistry          1996          49          767-773
Mirabilins (A-F): New Alkaloids From a Southern Australian Marine Sponge, Arenochalina mirabilis
RA Barrow, LM Murray, TK Lim and RJ Capon
Structure      13C NMR   碳谱模拟图
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1 .     compound VII
C10H16O3     相似度:90%
Planta Medica          1980          40          185-192
Gleditsia Saponins I. Structures of Monoterpene Moieties of Gleditsia Saponin C.
Y. Okada, K. Koyamal, K. Takahashi, T. Okuyama and S. Shibata
Structure      13C NMR   碳谱模拟图

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2 .     (2S*,3S*,6R*)-2,6-Dimethyl-3,6-epoxyocta-7-enoic acid
    相似度:80%
Phytochemistry          1984          23          2545-2551
Tetrahydrofuran-type terpenoids from Tanacetum vulgare
Giovanni Appendino, Pierluigi Gariboldi, Gian Mario Nano, Péter Tétényi
Structure      13C NMR   碳谱模拟图

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3 .     compound 5
    相似度:66.6%
Phytochemistry          1984          23          2545-2551
Tetrahydrofuran-type terpenoids from Tanacetum vulgare
Giovanni Appendino, Pierluigi Gariboldi, Gian Mario Nano, Péter Tétényi
Structure      13C NMR   碳谱模拟图

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4 .     compound 7
    相似度:66.6%
Phytochemistry          1984          23          2545-2551
Tetrahydrofuran-type terpenoids from Tanacetum vulgare
Giovanni Appendino, Pierluigi Gariboldi, Gian Mario Nano, Péter Tétényi
Structure      13C NMR   碳谱模拟图

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5 .     trans-hydroxydavanone
C15H24O3     相似度:60%
Phytochemistry          1991          30          549-552
Fragrant components of oil from Artemisia pallens
Laxmi N. Misra, Amitabh Chandra, Raghunath S. Thakur
Structure      13C NMR   碳谱模拟图

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6 .     trans-△3 4-hydroperoxide
    相似度:60%
Phytochemistry          1984          23          2545-2551
Tetrahydrofuran-type terpenoids from Tanacetum vulgare
Giovanni Appendino, Pierluigi Gariboldi, Gian Mario Nano, Péter Tétényi
Structure      13C NMR   碳谱模拟图

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7 .     hydroxydavanone
    相似度:60%
Phytochemistry          1984          23          2545-2551
Tetrahydrofuran-type terpenoids from Tanacetum vulgare
Giovanni Appendino, Pierluigi Gariboldi, Gian Mario Nano, Péter Tétényi
Structure      13C NMR   碳谱模拟图

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8 .     (3R,4S,7R)-3,7-dimethyl-4,7-epoxynon-8-enoic acid
C11H18O3     相似度:54.5%
Journal of Natural Products          1994          Vol 57          939
New Germacranolides and Eudesmanolides from North African Artemisia herba-alba
J. Alberto Marco, Juan F. Sanz-Cervera, Gregorio Ocete, Miguel Carda, Santiago Rodríguez, Joan Vallès-Xirau
Structure      13C NMR   碳谱模拟图

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9 .     compound
    相似度:54.5%
Organic letters          2000          2          255-256
Alkylation of Aromatic Aldehydes with Boron Halide Derivatives
George W. Kabalka, Zhongzhi Wu, Sarah E. Trotman, and Xiao Gao
Structure      13C NMR   碳谱模拟图

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10 .     N-tert-butoxycarbonyl (-)-geissman-waiss lactone
C11H17NO4     相似度:54.5%
Heterocycles          2005          66          341-346
Alternative Synthesis of (-)-Geissman-Waiss Lactone, a Key Intermediate of Necine Bases
Toshio Honda* and Sae Matsumoto
Structure      13C NMR   碳谱模拟图

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11 .     5,6-Dideoxy-1,2-isopropylidene-5-C-(n-undecanyl)-α-D-allofuranose
    相似度:54.5%
Bioorganic & Medicinal Chemistry          1998          6          1043-1049
Syntheses and Cytotoxicities of Four Stereoisomers of Muricatacin from d-Glucose
Sung-Hwa Yoon, Ho-Sang Moon, Sung-Kwan Hwang, SeungRyong Choi, Suk-Ku Kang
Structure      13C NMR   碳谱模拟图

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12 .     2-(2,2-dimethyl-4-ynyl)-2-hydroxycyclopentan-1-one
C12H18O2     相似度:54.5%
Tetrahedron          2000          56          9241-9257
The Novel Skeletal Rearrangement of Cyclopentanones into Hydroazulenones via a Radical Process and its Application to the Formal Synthesis of Damsinic Acid
Atsushi Nishida, Irie Miyoshi, Yukie Ogasawara, Shinji Nagumo, Norio Kawahara, Mayumi Nishida, Hiroaki Takayanagi
Structure      13C NMR   碳谱模拟图

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13 .     t-butyl octyl ketone
    相似度:54.5%
Tetrahedron          2012          68          6557-6564
Practical one-pot preparation of ketones from aryl and alkyl bromides with aldehydes and DIH via Grignard reagents
Souya Dohi, Katsuhiko Moriyama, Hideo Togo
Structure      13C NMR   碳谱模拟图

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14 .     cyclohexyl(phenyl)methanol
    相似度:54.5%
European Journal of Organic Chemistry          2010                   2351-2356
Enantioselective Arylations Catalyzed by Carbohydrate-Based Chiral Amino Alcohols
Ana Dionéia Wouters, Gustavo H. G. Trossini, Hélio A. Stefani and Diogo S. Lüdtke
Structure      13C NMR   碳谱模拟图

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15 .     compound Va
    相似度:53.8%
Russian Journal of Organic Chemistry          2004          40          1427-1431
Acid-catalyzed reactions of epoxides derived from citronellene
T. M. Khomenko, D. V. Korchagina and V. A. Barkhash
Structure      13C NMR   碳谱模拟图

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16 .     compound Vb
C12H21O2     相似度:53.8%
Russian Journal of Organic Chemistry          2004          40          1427-1431
Acid-catalyzed reactions of epoxides derived from citronellene
T. M. Khomenko, D. V. Korchagina and V. A. Barkhash
Structure      13C NMR   碳谱模拟图

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17 .     (6S,7S,10R)-7,10-Epoxy-3-hydroxy-2,6,10-trimethyl-dodeca-1,3,11-trien-5-one
    相似度:53.3%
Phytochemistry          1994          37          1095-1099
Sesquiterpene lactones and acetylenes from Artemisia reptans
J. Alberto Marco, Juan F. Sanz-Cervera, Felix Sancenón, Manuel Arnó, Joan Vallès-Xirau
Structure      13C NMR   碳谱模拟图

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18 .     compound VI
C10H16O4     相似度:50%
Planta Medica          1980          40          185-192
Gleditsia Saponins I. Structures of Monoterpene Moieties of Gleditsia Saponin C.
Y. Okada, K. Koyamal, K. Takahashi, T. Okuyama and S. Shibata
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




19 .     10-Eicosanol
C20H42O     相似度:50%
Phytochemistry Letters          2008          1          89-93
Constituents of Nelumbo nucifera leaves and their antimalarial and antifungal activity
Vijai K. Agnihotri, Hala N. ElSohly, Shabana I. Khan, Melissa R. Jacob, Vaishali C. Joshi, Troy Smillie, Ikhlas A. Khan, Larry A. Walker
Structure      13C NMR   碳谱模拟图

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20 .     compound 1
C30H62O     相似度:50%
Phytochemistry          1998          49          755-756
A long chain alcohol from Argemone mexicana
Naresh K. Sangwan, Mangel S. Malik
Structure      13C NMR   碳谱模拟图

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21 .     1-(4-methyl-2-furanyl)-2-(5-methyl-5-ethenyl-2-tetrahydrofuranyl)-propan-1-one
C15H20O3     相似度:50%
Phytochemistry          1993          33          233-234
Sesquiterpenoid from Rehmannia glutinosa roots
Yoshiteru Oshima, Kiyoko Tanaka, Hiroshi Hikino
Structure      13C NMR   碳谱模拟图

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22 .     ((2S,3R,4aR,8aS)-3-methyl-octahydropyrano[3,2-b]pyran-2-yl)methanol
C10H18O3     相似度:50%
Organic Letters          2004          Vol. 6, No. 9          1501-1504
Synthesis of the CDE/FG Ring Models of Prymnesins: Reassignment of the Relative Configuration of the E/F Ring Juncture
Makoto Sasaki, Makoto Ebine, Hiroyuki Takagi, Hiroyuki Takakura,Takeshi Shida, Masayuki Satake, Yasukatsu Oshima, Tomoji Igarashi, and Takeshi Yasumoto
Structure      13C NMR   碳谱模拟图

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23 .     (r-1,t-3,t-6,c-7,t-10)-10-tert-Butoxycarbonylamino-4-oxatricyclo[4.3.1.0(3,7)]decan-5-one
C14H21NO4     相似度:50%
Molecules          2011          16          7691-7705
Synthesis and Transformations of di-endo-3-Aminobicyclo-[2.2.2]oct-5-ene-2-carboxylic Acid Derivatives
Márta Palkó, Pál Sohár and Ferenc Fülöp
Structure      13C NMR   碳谱模拟图

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24 .     compound 5
C12H20O2     相似度:50%
Tetrahedron Letters          2000          41          5689-5692
Conjugate addition of zincates derived from ketone α,β-dianions to enones. An access to unsymmetrical 1,6-diketones
Ilhyong Ryu, Masanobu Ikebe, Noboru Sonoda, Shin-ya Yamato, Go-hei Yamamura, Mitsuo Komatsu
Structure      13C NMR   碳谱模拟图

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25 .     2-phenylselanyl-[1,2,3]-dithiaphosphinane-2-oxide
    相似度:50%
Tetrahedron Letters          2000          41          10195-10200
Generation of dialkyl phosphonodithioyl radicals and their addition onto alkenes. Synthesis of 3-phosphonodithiomethyl-3-deoxofuranosides
Chrystel Lopin, Arnaud Gautier, Géraldine Gouhier, Serge R. Piettre
Structure      13C NMR   碳谱模拟图

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26 .     nonacosan-10-ol
    相似度:50%
Phytochemistry          1987          26          793-794
Hirsudiol a triterpenoid from cocculus hirsutus
Viqar Uddin Ahmad,Faryal Vali Mohammad,Tahir Rasheed
Structure      13C NMR   碳谱模拟图

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27 .     compound 7
C11H20NO2     相似度:50%
Organic letters          2001          3          2383-2385
Intramolecular Radical Rearrangement Reactions of 2-Methyleneaziridines: Application to the Synthesis of Substituted Piperidines, Decahydroquinolines, and Octahydroindolizines
Natacha Prévost and Michael Shipman
Structure      13C NMR   碳谱模拟图

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28 .     5-bromo-5-(2-bromoethyl)-1,3-dimethyl-pyrimidine-2,4,6-trione
C8H10Br2N2O3     相似度:50%
Journal of Heterocyclic Chemistry          2006          43          607-612
A practical approach for spiro-and 5-monoalkylated barbituric acids
Palwinder Singh and Kamaldeep Paul
Structure      13C NMR   碳谱模拟图

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29 .     (2R,3S)-2-(2-hydroxy-3-methylpentyl)-1,3-dithiane
C10H20OS2     相似度:50%
Journal of Heterocyclic Chemistry          2001          38          165-172
Synthesis of hyperolactones A and C
Toshihiko Ueki, Matsumi Doe, Yoshiki Morimoto, Takamasa Kinoshita, Rika Tanaka and Kazuo Yoshihara
Structure      13C NMR   碳谱模拟图

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30 .     5-Bromo-5-(2-bromoethyl)-1,3-dimethylpyrimidine-2,4,6-trione
    相似度:50%
Indian Journal of Chemistry          2006          45B          247-251
A simple synthesis of 5-spirobarbituric acids and transformations of spirocyclopropanobarbiturates to 5-substituted barbiturates
Singh,Palwinder; Paul,Kamaldeep
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




31 .     (1R)-1-[(2R)-2-oxiranyl]-1-octanol
    相似度:50%
Heterocycles          2004          62          857-868
Asymmetric Synthesis of Panaxydol and Its Stereoisomers
Hsi-Jung Yu, Chang-Ming Sun, Chien-Chih Chen, Tsao-Chin Wu, Chia-Ling Wei, and Chien-Chang Shen*
Structure      13C NMR   碳谱模拟图

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32 .     (2R,4R,5R)-and (2S,4R,5R)-5-hexyltetrahydrofurane-2,4-diol
C10H20O3     相似度:50%
Heterocycles          2004          62          713-734
Stereoselective Total Synthesis of the Nonenolide (+)-Microcarpalide
Martin G. Banwell* and David T. J. Loong
Structure      13C NMR   碳谱模拟图

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33 .     compound 8
C9H16O4     相似度:50%
Heterocycles          2003          59          101-105
Stereoselective Syntheses of 2,5-Disubstituted Hydroxyfuran Derivatives as Synthon of Polyether Antibiotics
Shinji Nagumo,* Yusuke Ishii, Shinya Kanno, and Norio Kawahara*
Structure      13C NMR   碳谱模拟图

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34 .     Compound 50
C14H26N2O3     相似度:50%
Bioorganic & Medicinal Chemistry          2008          16          1431-1443
Design, synthesis and preliminary pharmacological evaluation of new piperidine and piperazine derivatives as cognition-enhancers
Elisabetta Martini, Carla Ghelardini, Silvia Dei, Luca Guandalini, Dina Manetti, Michele Melchiorre, Monica Norcini, Serena Scapecchi, Elisabetta Teodori, Maria Novella Romanelli
Structure      13C NMR   碳谱模拟图

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35 .     4-ethyloctanoyl chloride
    相似度:50%
Molecules          2010          15          5104-5111
Synthesis and Odor Evaluation of Five New Sulfur-Containing Ester Flavor Compounds from 4-Ethyloctanoic Acid
Yuping Liu, Haitao Chen, Decai Yin and Baoguo Sun
Structure      13C NMR   碳谱模拟图
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