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12.9,21.2,26,30.3,31,31.7,37.3,43.3,56,70,72.2,100.1,107.4,111.5,111.7,128.2,130.1,139.4,154.1
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夜颦儿: 金币+30, ★★★★★最佳答案 2013-04-05 14:25:27
1 .     N-pentanoyl-4-(aminomethyl)-6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazole
C20H28N2O2     相似度:75%
Journal of Medicinal Chemistry          1998          41          451-467
Mapping the Melatonin Receptor. 5. Melatonin Agonists and Antagonists Derived from Tetrahydrocyclopentindoles, Tetrahydrocarbazoles and Hexahydrocycloheptindoles
David J. Davies, Peter J. Garratt, Derek A. Tocher, and Stefan Vonhoff, John Davies, Muy-Teck Teh and David Sugden
Structure      13C NMR   碳谱模拟图

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2 .     2-methoxy-5,6,7,8,10,11-hexahydro-9H-6,10-methanocyclooctaindol-9-one
C16H17NO2     相似度:73.6%
Russian Journal of Organic Chemistry          2007          43          1196-1201
Synthetic approach to preparation of indole derivatives fused with a bicyclo[3.3.1]nonane framework
T. Yu. Baranova, O. N. Zefirova, N. V. Averina, V. V. Boyarskikh and G. S. Borisova, et al.
Structure      13C NMR   碳谱模拟图

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3 .     N-butanoyl-4-(aminomethyl)-6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazole
C19H26N2O2     相似度:73.6%
Journal of Medicinal Chemistry          1998          41          451-467
Mapping the Melatonin Receptor. 5. Melatonin Agonists and Antagonists Derived from Tetrahydrocyclopentindoles, Tetrahydrocarbazoles and Hexahydrocycloheptindoles
David J. Davies, Peter J. Garratt, Derek A. Tocher, and Stefan Vonhoff, John Davies, Muy-Teck Teh and David Sugden
Structure      13C NMR   碳谱模拟图

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4 .     N-cyclopropanoyl-4-(aminomethyl)-6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazole
C19H24N2O2     相似度:73.6%
Journal of Medicinal Chemistry          1998          41          451-467
Mapping the Melatonin Receptor. 5. Melatonin Agonists and Antagonists Derived from Tetrahydrocyclopentindoles, Tetrahydrocarbazoles and Hexahydrocycloheptindoles
David J. Davies, Peter J. Garratt, Derek A. Tocher, and Stefan Vonhoff, John Davies, Muy-Teck Teh and David Sugden
Structure      13C NMR   碳谱模拟图

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5 .     N-pentanoyl-10-(aminomethyl)-2-methoxy-5-methyl-5,6,7,8,9,10-hexahydrocycloheptindole
C21H30N2O2     相似度:71.4%
Journal of Medicinal Chemistry          1998          41          451-467
Mapping the Melatonin Receptor. 5. Melatonin Agonists and Antagonists Derived from Tetrahydrocyclopentindoles, Tetrahydrocarbazoles and Hexahydrocycloheptindoles
David J. Davies, Peter J. Garratt, Derek A. Tocher, and Stefan Vonhoff, John Davies, Muy-Teck Teh and David Sugden
Structure      13C NMR   碳谱模拟图

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6 .     (±)-2-allyl-1-[3-(4-methoxybenzyloxy)propyl]-2,3-dimethylcyclohexan-1-trimethylsilyloxyether
    相似度:71.4%
Journal of the Brazilian Chemical Society          2001          12          360-367
An Approach to the Construction of the Carbon Skeleton of Marine Nor-sesquiterpenes. Total Synthesis of (±)-Dehalo-Napalilactone.
Gaspar Diaz and Fernando Coelho
Structure      13C NMR   碳谱模拟图

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7 .     compound 11a
C22H34O3     相似度:70%
Tetrahedron          2002          58          1647-1656
Studies on the synthesis of (±)-pathylactone A, a nor-sesquiterpene lactone isolated from marine sources
Fernando Coelho, Gaspar Diaz
Structure      13C NMR   碳谱模拟图

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8 .     N-butanoyl-10-(aminomethyl)-2-methoxy-5-methyl-5,6,7,8,9,10-hexahydrocycloheptindole
C20H28N2O2     相似度:70%
Journal of Medicinal Chemistry          1998          41          451-467
Mapping the Melatonin Receptor. 5. Melatonin Agonists and Antagonists Derived from Tetrahydrocyclopentindoles, Tetrahydrocarbazoles and Hexahydrocycloheptindoles
David J. Davies, Peter J. Garratt, Derek A. Tocher, and Stefan Vonhoff, John Davies, Muy-Teck Teh and David Sugden
Structure      13C NMR   碳谱模拟图

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9 .     (+)-2-allyl-1-[3-(4-methoxybenzyloxy)propyl]-2,3-dimethylcyclohexan-1-ol
C22H34O3     相似度:70%
Journal of the Brazilian Chemical Society          2001          12          360-367
An Approach to the Construction of the Carbon Skeleton of Marine Nor-sesquiterpenes. Total Synthesis of (±)-Dehalo-Napalilactone.
Gaspar Diaz and Fernando Coelho
Structure      13C NMR   碳谱模拟图

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10 .     compound 6
C20H26N2O2     相似度:68.4%
Helvetica Chimica Acta          1999          Vol. 82          170
A New Rearrangement in Iboga Alkaloids
Alberto Madinaveitia, Gabriel de la Fuente, and Antonio González
Structure      13C NMR   碳谱模拟图

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11 .     1,6-Anhydro-2-aminooctyl-2,3,4-trideoxy-β-D-erythro-hex-3-enopyranose
    相似度:68.4%
Chemistry of Natural Compounds          2004          40          521-525
SYNTHESIS OF 2-AMINO DERIVATIVES OF LEVOGLUCOSENONE
F. A. Valeev, L. Kh. Kalimullina, Sh. M. Salikhov,O. V. Shitikova, I. P. Tsypysheva, and M. G. Safarov
Structure      13C NMR   碳谱模拟图

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12 .     3-Hydroxy-16α-methylpregn-1,3,5(10)-trien-20-one
    相似度:68.4%
Steroids          2010          75          859-869
Stereoselective synthesis of some methyl-substituted steroid hormones and their in vitro cytotoxic activity against human gastric cancer cell line MGC-803
Chun Li, Wenwei Qiu, Zhengfeng Yang, Jian Luo, Fan Yang, Mingyao Liu, Juan Xie, Jie Tang
Structure      13C NMR   碳谱模拟图

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13 .     3-hydroxy-5-methoxy-2-(3-hydroxy-3-methylbutyl) bibenzyl
C20H26O3     相似度:68.4%
Phytochemistry          1991          30          219-234
Prenyl bibenzyls from the liverwort Radula kojana
Yoshinori Asakawa, Keiko Kondo, Née K. Takikawa, Motoo Tori, Toshihiro Hashimoto, Shunichi Ogawa
Structure      13C NMR   碳谱模拟图

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14 .     (1r,4r)-N-(2-Hydroxyethyl)-N,N-dimethyl-4-(4-octylphenyl)cyclohexanaminium iodide
C24H41NO     相似度:68.4%
Bioorganic & Medicinal Chemistry          2012          20          183-194
Design, synthesis and biological activity of sphingosine kinase 2 selective inhibitors
Mithun R. Raje, Kenneth Knott, Yugesh Kharel, Philippe Bissel, Kevin R. Lynch, Webster L. Santos
Structure      13C NMR   碳谱模拟图

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15 .     (2R,3R,5S)-2-hexyl-5-[(4-methoxyphenyl)methoxy]tetrahydrofuran-3-ol
C18H28O4     相似度:68.4%
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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16 .     (2R,3R,5R)-2-hexyl-5-[(4-methoxyphenyl)methoxy]tetrahydrofuran-3-ol
C18H28O4     相似度:68.4%
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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17 .     compound 7c
    相似度:68.4%
Phytochemistry          1982          21          1725-1731
New 5-methylcoumarins from Ethulia conyzoides
Vishnu S. Shukla, Subhash C. Dutta, Robindra N. Baruah, Ram P. Sharma, Gopalakrishna Thyagarajan, Werner Herz, Narendra Kumar, Kinzo Watanabe, John F. Blount
Structure      13C NMR   碳谱模拟图

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18 .     3,16α-dihydroxyestra-1,3,5(10)-trien-17-one
    相似度:68.4%
Steroids          1990          55          390-394
Microbiologic oxidation of estratrienes and estratetraenes by Streptomyces roseochromogenes ATCC 13400
Joan C. Ferrer, Virginia Calzada, Juan J. Bonet
Structure      13C NMR   碳谱模拟图

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19 .     compound hc
C29H46N4O5F6     相似度:68.4%
Heterocycles          2000          53          1317-1328
Solution Parallel Synthesis of Cyclic Guanidines
Christelle Marmillon, Jacques Bompart, Michèle Calas, Roger Escale,* and Pierre-Antoine Bonnet
Structure      13C NMR   碳谱模拟图

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20 .     6,9-dihydro-10α-hydroxyradicicol
C18H21ClO6     相似度:68.4%
Bioorganic & Medicinal Chemistry          2009          17          4622-4635
Synthesis and structure–activity relationships of radicicol derivatives and WNT-5A expression inhibitory activity
Hideki Shinonaga, Toshiya Noguchi, Akiko Ikeda, Mari Aoki, Natsuko Fujimoto, Akira Kawashima
Structure      13C NMR   碳谱模拟图

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21 .     endo-N-(2-methoxy-6,7,8,9,10,11-hexahydro-5H-6,10-methanocycloocta-indol-9-yl)acetamide
    相似度:68.4%
Russian Journal of Organic Chemistry          2007          43          1196-1201
Synthetic approach to preparation of indole derivatives fused with a bicyclo[3.3.1]nonane framework
T. Yu. Baranova, O. N. Zefirova, N. V. Averina, V. V. Boyarskikh and G. S. Borisova, et al.
Structure      13C NMR   碳谱模拟图

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22 .     2'-methoxy-5',6',7',8',10',11'-hexahydrospiro-(1,3-dioxolane-2,9'-[6,10]methanocycloocta-indole)
C18H21NO3     相似度:68.4%
Russian Journal of Organic Chemistry          2007          43          1196-1201
Synthetic approach to preparation of indole derivatives fused with a bicyclo[3.3.1]nonane framework
T. Yu. Baranova, O. N. Zefirova, N. V. Averina, V. V. Boyarskikh and G. S. Borisova, et al.
Structure      13C NMR   碳谱模拟图

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23 .     N-butanoyl-3-amino-6-methoxy-1,2,3,4-tetrahydrocarbazole
C17H22N2O2     相似度:68.4%
Journal of Medicinal Chemistry          1998          41          451-467
Mapping the Melatonin Receptor. 5. Melatonin Agonists and Antagonists Derived from Tetrahydrocyclopentindoles, Tetrahydrocarbazoles and Hexahydrocycloheptindoles
David J. Davies, Peter J. Garratt, Derek A. Tocher, and Stefan Vonhoff, John Davies, Muy-Teck Teh and David Sugden
Structure      13C NMR   碳谱模拟图

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24 .     N-propanoyl-4-(aminomethyl)-6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazole
C18H24N2O2     相似度:68.4%
Journal of Medicinal Chemistry          1998          41          451-467
Mapping the Melatonin Receptor. 5. Melatonin Agonists and Antagonists Derived from Tetrahydrocyclopentindoles, Tetrahydrocarbazoles and Hexahydrocycloheptindoles
David J. Davies, Peter J. Garratt, Derek A. Tocher, and Stefan Vonhoff, John Davies, Muy-Teck Teh and David Sugden
Structure      13C NMR   碳谱模拟图

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25 .     N-cyclobutanoyl-4-(aminomethyl)-6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazole
C20H26N2O2     相似度:68.4%
Journal of Medicinal Chemistry          1998          41          451-467
Mapping the Melatonin Receptor. 5. Melatonin Agonists and Antagonists Derived from Tetrahydrocyclopentindoles, Tetrahydrocarbazoles and Hexahydrocycloheptindoles
David J. Davies, Peter J. Garratt, Derek A. Tocher, and Stefan Vonhoff, John Davies, Muy-Teck Teh and David Sugden
Structure      13C NMR   碳谱模拟图

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

26 .     N-(trifluoroacetyl)-4-(aminomethyl)-6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazole
C17H19N2O2F3     相似度:68.4%
Journal of Medicinal Chemistry          1998          41          451-467
Mapping the Melatonin Receptor. 5. Melatonin Agonists and Antagonists Derived from Tetrahydrocyclopentindoles, Tetrahydrocarbazoles and Hexahydrocycloheptindoles
David J. Davies, Peter J. Garratt, Derek A. Tocher, and Stefan Vonhoff, John Davies, Muy-Teck Teh and David Sugden
Structure      13C NMR   碳谱模拟图

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

27 .     N-propanoyl-10-(aminomethyl)-2-methoxy-5-methyl-5,6,7,8,9,10-hexahydrocycloheptindole
C19H26N2O2     相似度:68.4%
Journal of Medicinal Chemistry          1998          41          451-467
Mapping the Melatonin Receptor. 5. Melatonin Agonists and Antagonists Derived from Tetrahydrocyclopentindoles, Tetrahydrocarbazoles and Hexahydrocycloheptindoles
David J. Davies, Peter J. Garratt, Derek A. Tocher, and Stefan Vonhoff, John Davies, Muy-Teck Teh and David Sugden
Structure      13C NMR   碳谱模拟图

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

28 .     N-cyclopropanoyl-10-(aminomethyl)-2-methoxy-5-methyl-5,6,7,8,9,10-hexahydrocycloheptindole
C20H26N2O2     相似度:68.4%
Journal of Medicinal Chemistry          1998          41          451-467
Mapping the Melatonin Receptor. 5. Melatonin Agonists and Antagonists Derived from Tetrahydrocyclopentindoles, Tetrahydrocarbazoles and Hexahydrocycloheptindoles
David J. Davies, Peter J. Garratt, Derek A. Tocher, and Stefan Vonhoff, John Davies, Muy-Teck Teh and David Sugden
Structure      13C NMR   碳谱模拟图

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29 .     compound 13b
    相似度:68.4%
Journal of Medicinal Chemistry          1992          35          2459-2467
Extraordinarily potent antimalarial compounds: new, structurally simple, easily synthesized, tricyclic 1,2,4-trioxanes.
Gary H. Posner, Chang Ho Oh, Lucia Gerena, Wilbur K. Milhous
Structure      13C NMR   碳谱模拟图

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30 .     5-amino-5-{2-[4-((1r,4r)-4-butylcyclohexyl)benzene]ethyl}-2,2-dimethyl-1,3-dioxane
C24H39NO2     相似度:68.4%
Archiv der Pharmazie          2012          345          93-100
Synthesis and Immunomodulating Activity of New Analogues of Fingolimod
Xiang-Jun Feng, Xiao-Ying Yang, Yu Luo, Xin Li, Wei Tang, Jian-Ping Zuo and Wei Lu
Structure      13C NMR   碳谱模拟图

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31 .     (2S,3R)-2-Amino-3-benzyloxy[1,3]dioxolan-6-yl-octadecan-1-ol
C27H47NO4     相似度:68.4%
Heterocycles          2004          64          249-259
A Short Synthesis of (-)-Deoxoprosophylline
Angélique Jourdant and Jieping Zhu*
Structure      13C NMR   碳谱模拟图

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32 .     monacolin L
    相似度:68.4%
Acta Pharmaceutica Sinica          2011          46          564-567
A new monacolin analogue from Xuezhikang capsule
LI Xue-mei, SHEN Xing-hai, DUAN Zhen-wen, GUO Shu-ren*
Structure      13C NMR   碳谱模拟图

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33 .     compound 5b
C136H202N8O8S40     相似度:68.4%
European Journal of Organic Chemistry          2012                   1138-1146
Tetrakis(tetrathiafulvalene–tetrathiacrown ether)porphyrazine Triads: Synthesis, Photophysical, and Electrochemical Properties
Ruibin Hou, Bao Li, Keli Zhong, Hongda Li, Long-Yi Jin and Bingzhu Yin
Structure      13C NMR   碳谱模拟图

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34 .     7α-Methoxyestra-1,3,5(10)-trien-3-ol-17-one
C19H24O3     相似度:68.4%
Steroids          2012          77          1123-1132
Novel 7α-alkoxy-17α-(4′-halophenylethynyl)estradiols as potential SPECT/PET imaging agents for estrogen receptor expressing tumours: Synthesis and binding affinity evaluation
Carina Neto, Maria Cristina Oliveira, Lurdes Gano, Fernanda Marques, Takumi Yasuda, Thies Thiemann, Torsten Kniess, Isabel Santos
Structure      13C NMR   碳谱模拟图

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35 .     6-(n-Butylamino) 1-Deoxy-6-demethoxybostrycin
C19H23NO6     相似度:68.4%
Marine Drugs          2012          10          2715-2728
Synthesis and Antitumor Activities of Derivatives of the Marine Mangrove Fungal Metabolite Deoxybostrycin
Hong Chen, Xun Zhu, Li-Li Zhong, Bing Yang, Jia Li, Jue-Heng Wu, Sheng-Ping Chen, Yong-Cheng Lin, Yuhua Long and Zhi-Gang She
Structure      13C NMR   碳谱模拟图

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36 .     (4S)-3[(2'S,3'R)-2'-Methyl-3'-hydroxydecanoyl)-4-phenyl-methyl-2-oxazolidinone
C21H31NO4     相似度:68.4%
Bioorganic & Medicinal Chemistry          1999          7          737-747
Total synthesis and conformational studies of hapalosin, N-desmethylhapalosin and 8-Deoxyhapalosin
Björn Wagner, Gabriel Islas Gonzalez, Marie Elise Tran Hun Dau, Jieping Zhu
Structure      13C NMR   碳谱模拟图

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37 .     Ibogaine
C20H26N2O     相似度:65%
Chemistry of Natural Compounds          2008          44          675-678
INDOLE ALKALOIDS FROM Ervatamia flabellformia
Shuang Liang, Haisheng Chen, Li Jin,Weidong Xuan, and Wei-Dong Zhang
Structure      13C NMR   碳谱模拟图

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38 .     ibogaine
    相似度:65%
China Journal of Chinese Materia Medica          2007          32          1296-1299
Study on chemical constituents in rhigome of Ervatamia hainanensis
LIANG Shuang, CHENG Haisheng, JIN Yongsheng, JIN Li, LU Jia, DU Jingling
Structure      13C NMR   碳谱模拟图

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39 .     1-O-methyl-5-(2-hydroxytridecyl)resorcinol
    相似度:65%
Phytochemistry          1997          44          1559-1563
5-alkylresorcinols from Ononis natrix
Librada M. Cañedo, Jose M. Miguel del Corral, Arturo san Feliciano
Structure      13C NMR   碳谱模拟图

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40 .     ibogaine
    相似度:65%
Phytochemistry          1991          30          3785-3792
Alkaloids from leaves and root bark ofErvatamia hirta
Pascale Clivio, Bernard Richard, Jean-Robert Deverre, Thierry Sevenet, Monique Zeches, Louisette Le Men-Oliver
Structure      13C NMR   碳谱模拟图

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41 .     ibogaine
    相似度:65%
Helvetica Chimica Acta          1976          59          2437-2442
13C-NMR. Spectroscopy of Naturally Occurring Substances. XLV. Iboga Alkaloids
Ernest Wenkert, David W. Cochran, Hugo E. Gottlieb, Edward W. Hagaman, Raimundo Braz Filho, Francisco José de Abreu Matos and Maria Iracema Lacerda Machado Madruga
Structure      13C NMR   碳谱模拟图

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42 .     2-{1-[(4-Chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid 1-adamantyl ester
C29H30O4NCl     相似度:65%
Bioorganic & Medicinal Chemistry          2011          19          3242-3248
Synthesis and evaluation of carbaborane derivatives of indomethacin as cyclooxygenase inhibitors
Matthias Scholz,Anna L. Blobaum, Lawrence J. Marnett , Evamarie Hey-Hawkins
Structure      13C NMR   碳谱模拟图

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43 .     Methyl 4-O-benzyl-3-heptylamino-6-C-methyl-2,3,6-trideoxy-α-D-arabino-hexopyranoside
C22H37NO3     相似度:65%
Canadian Journal of Chemistry          2005          83          801-811
Design and synthesis of oxazolidinone ketolide antibiotic segment mimetics1
Stephen Hanessian and Kiran Kumar Kothakonda
Structure      13C NMR   碳谱模拟图

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44 .     haplomitrenolide B
C20H34O5     相似度:65%
Phytochemistry          1990          29          585-589
Phytane-and labdane-type diterpenoids from the liverwort Haplomitrium mnioides
Yoshinori Asakawa,Masao Toyota,Toru Masuya
Structure      13C NMR   碳谱模拟图

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45 .     3β-angeloyloxy-6β-hydroxy-8β-methoxyeremophil-7(11)-en-12,8α-olide
C21H30O6     相似度:65%
Heterocycles          2003          60          373-378
Three New Eremophilenolides from Ligularia hiberniflorum (Makino) Kitam.
Munehiro Nakatani,* Saori Maeda, Kenji Higashi, Junichi Kurawaki, Hiroaki Okamura, and Tetsuo Iwagawa
Structure      13C NMR   碳谱模拟图

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46 .     ibogaine
    相似度:65%
Phytochemistry          1984          23          175-178
13C NMR analysis of alkaloids from peschiera fuchsiaefolia
Raquel M. Braga, Hermogenes F. Leitáo Filho, Francisco De A.M. Reist
Structure      13C NMR   碳谱模拟图

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47 .     6-hexyloxy-1-oxo-3-benzylisoindoline-4,5-dicarbonitrile
C23H23N3O2     相似度:65%
Heterocycles          2001          55          1663-1678
Synthesis of 3-Substituted Isoindolin-1-ones by Regioselective Cyclization of Nitrile with a Styryl Double Bond
Fen-Tair Luo* and Chin-Hsin Chen
Structure      13C NMR   碳谱模拟图

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48 .     (1E,4Z,6E)-5-hydroxy-1,7-bis(3-methoxy-4-(octyloxy)phenyl)-hepta-1,4,6-trien-3-one
    相似度:65%
Bioorganic & Medicinal Chemistry          2010          18          1591-1598
Binding of curcumin and its long chain derivatives to the activator binding domain of novel protein kinase C
Anjoy Majhi, Ghazi M. Rahman, Shyam Panchal, Joydip Das
Structure      13C NMR   碳谱模拟图

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49 .     methyl 2,4-dideoxy-3-O-benzoyl-4-C-(2Z-octenyl)-α-D-arabino-hexopyranoside
    相似度:65%
Russian Journal of Organic Chemistry          2003          39          658-662
Prostanoids: LXXXV. Synthesis 9-Oxo Derivatives of 9-LO Thromboxans
R. R. Akhmetvaleev, R. V. Bikbulatov, T. A. Belogaeva, F. A. Akbutina and M. S. Miftakhov
Structure      13C NMR   碳谱模拟图

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50 .     (S)-1-[(2R,4S,6R)-6-heptyl-2-phenyl-1,3-dioxan-4-yl]pent-4-en-2-ol
C22H34O3     相似度:65%
European Journal of Organic Chemistry          2011                   6781-6788
Stereoselective Total Synthesis of Polyrhacitides A and B
J. S. Yadav and Goreti Rajendar
Structure      13C NMR   碳谱模拟图
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