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yaomj2010

金虫 (小有名气)

[求助] 求助微谱解析化合物结构两个

化合物1碳谱数据:100.5,64.6,43.6,43.2,42.6,38.8,38.7,14.6,12.4
化合物2碳谱数据:93.8,57.2,43.3,43.0,42.2,34.9,33.2,14.7,12.8
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光谱与色谱
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kaola0916

铁杆木虫 (著名写手)

【答案】应助回帖

感谢参与,应助指数 +1
Comp.1?????
1 .     compound 15
    ?????:60%
Journal of Natural Products          1993          Vol 56          1486
New Bis-Iridoids from Dipsacus laciniatus
Ákos Kocsis, L??szl?? F. Szab??, Benjamin Pod??nyi
Structure      13C NMR   ???????
--------------------------------------------------------------------------------

2 .     4-Oxocyclopentane-1,2-dicarboxylic acid monoethyl ester ethylene ketal
    ?????:60%
Molecules          2012          17          1-14
Facile Preparation of the Tosylhydrazone Derivatives of a Series of Racemic trans-3,4-Substituted Cyclopentanones
Kamal H. Bouhadir, Bilal Abou Aleiwe and Fares A. Fares
Structure      13C NMR   ???????
--------------------------------------------------------------------------------

3 .     compound 12(6S)
C9H16O3     ?????:55.5%
Tetrahedron Letters          2000          41          717-719
Synthesis and absolute stereochemistry of the acyl moiety of quillajasaponins
Xiangming Zhu, Biao Yu, Yongzheng Hui, Ryuichi Higuchi, Takanori Kusano, Tomofumi Miyamoto
Structure      13C NMR   ???????
--------------------------------------------------------------------------------

4 .     compound 12(6R)
C9H16O3     ?????:55.5%
Tetrahedron Letters          2000          41          717-719
Synthesis and absolute stereochemistry of the acyl moiety of quillajasaponins
Xiangming Zhu, Biao Yu, Yongzheng Hui, Ryuichi Higuchi, Takanori Kusano, Tomofumi Miyamoto
Structure      13C NMR   ???????
--------------------------------------------------------------------------------

5 .     compound 4
C9H16O3     ?????:55.5%
Phytochemistry          1987          26          2357-2360
Structures of compounds derived from the acyl moieties of quillajasaponin
Ryuichi Higuchi,Tetsuya Komori
Structure      13C NMR   ???????
--------------------------------------------------------------------------------

6 .     4-(ethoxymethylene)-amino-3-(ethyl)-2-thioxo-1,3-thiazole-5-carbonitrile
    ?????:55.5%
Bioorganic & Medicinal Chemistry          2010          18          2491-2500
Novel 8-(furan-2-yl)-3-substituted thiazolo [5, 4-e][1, 2, 4] triazolo[1, 5-c] pyrimidine-2(3H)-thione derivatives as potential adenosine A2A receptor antagonists
Chandra Bhushan Mishra, Sandeep Kumar Barodia, Amresh Prakash, J.B. Senthil Kumar, Pratibha Mehta Luthra
Structure      13C NMR   ???????
--------------------------------------------------------------------------------

7 .     kinabalurine D
C11H21NO     ?????:54.5%
Journal of Natural Products          1997          60          673-676
Monoterpene Alkaloids from Kopsia pauciflora
Toh-Seok Kam, Kanagasundaram Yoganathan, and Chen Wei
Structure      13C NMR   ???????
--------------------------------------------------------------------------------

8 .     9-deoxygelsemide
C10H12O4     ?????:50%
Natural Product Research          1994          5          15-20
Two New Iridoids from the Leaves of Gelsemium elegans Benth. in Thailand
Hiromitsu Takayama; Yuhko Morohoshi; Mariko Kitajima; Norio Aimi; Sumphan Wongseripipatana; Dhavadee Ponglux; Shin-Ichiro Sakai
Structure      13C NMR   ???????
--------------------------------------------------------------------------------

9 .     compound 17 major
    ?????:50%
Journal of Natural Products          1993          Vol 56          1486
New Bis-Iridoids from Dipsacus laciniatus
Ákos Kocsis, L??szl?? F. Szab??, Benjamin Pod??nyi
Structure      13C NMR   ???????
--------------------------------------------------------------------------------

10 .     9-Deoxygelsemide
C10H12O4     ?????:50%
Organic Letters          2010          Vol.12,No.3          596-599
Synthesis and Assignment of Absolute Configuration of the Iridoid 9-Deoxygelsemide
Alessandro D??Alfonso, Maurizio Pasi, Alessio Porta, Giuseppe Zanoni, and Giovanni Vidari
Structure      13C NMR   ???????
--------------------------------------------------------------------------------

11 .     compound 3c
    ?????:50%
Heterocycles          2007          71          419-428
Synthesis of 5-Substituted 4, 5, 6, 7-Tetrahydroindoles from Cyclohexanones
Chang Kiu Lee, In-Sook Han Lee, and Wayland E. Noland
Structure      13C NMR   ???????
--------------------------------------------------------------------------------

12 .     6,7-epoxy-4,4a,5,7a-tetrahydro-7,4-dimethylcyclopenta[c]pyran-3(1H)-one
C10H14O3     ?????:50%
Journal of the Chinese Chemical Society          1997          44          59-63
Total Synthesis of (??)-Patriscabrol and (??)-Boschnialactone
???(Jiun-Yuh Chiu);??????(Chih-Tsao Chiu);?????\(Nein-Chen Chang)
Structure      13C NMR   ???????
--------------------------------------------------------------------------------

13 .     (??)-patriscabrol
    ?????:50%
Journal of the Chinese Chemical Society          1997          44          59-63
Total Synthesis of (??)-Patriscabrol and (??)-Boschnialactone
???(Jiun-Yuh Chiu);??????(Chih-Tsao Chiu);?????\(Nein-Chen Chang)
Structure      13C NMR   ???????
2楼2012-04-07 13:49:00
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kaola0916

铁杆木虫 (著名写手)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
yaomj2010: 金币+30, 有帮助 2012-04-07 15:37:01
Comp.2查询结果:共查到5个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------

1 .     Methyl-(2-dimethylaminoethyl)ammonium-N-methyl-N-(2-dimethylamino-ethyl)-carbaminat
    相似度:66.6%
Zeitschrift für Naturforschung B          2011          66          164-176
Orthoamides and Iminium Salts, LXX. Capturing of Carbon Dioxide with Organic Bases - Reactions of Diamines with Carbon Dioxide
I. Tiritiris and W. Kantlehner
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

2 .     4-iodo-5-(2-iodoethyl)oct-4-ene
C10H18I2     相似度:60%
Russian Journal of Organic Chemistry          2010          46          355-362
Selective cyclometalation of disubstituted acetylenes and ethylene with diethylmagnesium and ethylmagnesium halides in the presence of zirconium complexes
R. M. Sultanov, V. V. Vasil’ev and U. M. Dzhemilev
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

3 .     4,10-dimethy-8-isopropyl
    相似度:50%
Phytochemistry          1977          16          2025-2027
The carbon-13 nuclear magnetic resonance spectra of four eudesmane sesquiterpenols
Nancy N. Gerber, Dorothy Z. Denney
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

4 .     methyl (2R*,4R*,5S*)-4-diethylcarbamoyl-2-hydroxy-5-nitrotetrahydropyran-2-carboxylate
C12H20N2O7     相似度:50%
Tetrahedron Letters          2001          42          8889-8892
Synthesis of (4R*,5S*)-5-acetylamino-4-diethylcarbamoyl-5,6-dihydro-4H-pyran-2-carboxylic acid and its inhibitory action against influenza virus sialidases
Sean A Kerrigan, Robin G Pritchard, Paul W Smith, Richard J Stoodley
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

5 .     cis-1-ethyl-5-methyl-4-phenyl-pyrrolidin-2-one
C13H17NO     相似度:50%
Tetrahedron Letters          2005          46          3093-3095
Cyclisation at very high temperature. Thermal transformations of N-alkyl and N,N-dialkyl cinnamic amides into pyrrolidin-2-ones under FVT conditions
Stanisław Leśniak, Beata Pasternak
Structure      13C NMR   碳谱模拟图
3楼2012-04-07 13:56:36
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