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小木虫论坛-学术科研互动平台 » 生物医药区 » 药学 » 天然药物化学 » 求助微谱数据库查询
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heroqe

木虫 (小有名气)

[求助] 求助微谱数据库查询

碳谱数据是：17.25,17.47,50.12,52.31,59.82,85.53,89.13,139.54,171.79

溶剂是氯仿
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1楼 2012-11-16 19:56:57
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木风枫pan

木虫 (小有名气)

【答案】应助回帖

感谢参与，应助指数 +1
1 .     1-(β-D-2'-Deoxyribofuranosyl)-4-pyrimidinone
C9H12O4N2     相似度:55.5%
Bioorganic & Medicinal Chemistry          2011          19          2443-2449
Desulfurization of 2-thiouracil nucleosides: Conformational studies of 4-pyrimidinone nucleosides
Karina Kraszewska, Iwona Kaczyńska, Stefan Jankowski, Janina Karolak-Wojciechowska,Elzbieta Sochacka
Structure      13C NMR   碳谱模拟图

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

2 .     penicillic acid
    相似度:55.5%
Bioscience, Biotechnology, and Biochemistry          1996          60          1375-1376
Aspyrone, a Nematicidal Compound Isolated from the Fungus, Aspergillus melleus
Yasuo KIMURA, Satoshi NAKAHARA, Shozo FUJIOKA
Structure      13C NMR   碳谱模拟图

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

3 .     penicillic acid
    相似度:55.5%
Chemistry & Biodiversity          2012          9          2203-2209
Cytotoxic Activity of Fungal Strains Isolated from the Ascidian Eudistoma vannamei
Tasso G. C. Montenegro, Felipe A. R. Rodrigues, Paula C. Jimenez, Alysson L. Angelim, Vânia M. M. Melo, Edson Rodrigues Filho, Maria da Conceição F. de Oliveira and Letícia V. Costa-Lotufo
Structure      13C NMR   碳谱模拟图

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

4 .     (1S,2R,5R)-1-ethoxy-3-oxabicyclo[3.2.0]-heptane-2-carboxylic acid methyl ester
C10H16O4     相似度:50%
Indian Journal of Chemistry          2006          45B          2474-2484
Asymmetric induction in copper (I)-catalyzed intramolecular [2 + 2] photocycloaddition: Synthesis of enantiopure cyclobutane derivatives
Sarkar,Niladri; Ghosh,Subrata
Structure      13C NMR   碳谱模拟图

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

5 .     methyl (2R,3R)-2-(dibenzylamino)-3-fluorobutanoate
C19H22FNO2     相似度:50%
Helvetica Chimica Acta          2011          94          1908-1942
Stereoselective Preparation of 3-Amino-2-fluoro Carboxylic Acid Derivatives, and Their Incorporation in Tetrahydropyrimidin-4(1H)-ones, and in Open-Chain and Cyclic β-Peptides (pages 1908–1942)
Tomohiro Yoshinari, François Gessier, Christian Noti, Albert K. Beck and Dieter Seebach
Structure      13C NMR   碳谱模拟图

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

6 .     N-ethyl-N-phenylsulfonyl-L-alanine methyl ester
C12H17NO4S     相似度:50%
Tetrahedron          2011          67          9708-9714
N-Alkylation of N-arylsulfonyl-α-amino acid methyl esters by trialkyloxonium tetrafluoroborates
Rosaria De Marco, Maria Luisa Di Gioia, Angelo Liguori, Francesca Perri, Carlo Siciliano, Mariagiovanna Spinella
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------
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heroqe
3楼2012-11-16 20:17:24
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superspace

至尊木虫 (著名写手)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
heroqe: 金币+15 2012-11-16 20:27:35
这是你的化合物在相似度50%以上的匹配信息
查询结果：共查到6个化合物(查询结果仅供参考)

    1 .     penicillic acid
        相似度:55.5%
    Bioscience, Biotechnology, and Biochemistry          1996          60          1375-1376
    Aspyrone, a Nematicidal Compound Isolated from the Fungus, Aspergillus melleus
    Yasuo KIMURA, Satoshi NAKAHARA, Shozo FUJIOKA
    Structure      13C NMR   碳谱模拟图

    2 .     penicillic acid
        相似度:55.5%
    Chemistry & Biodiversity          2012          9          2203-2209
    Cytotoxic Activity of Fungal Strains Isolated from the Ascidian Eudistoma vannamei
    Tasso G. C. Montenegro, Felipe A. R. Rodrigues, Paula C. Jimenez, Alysson L. Angelim, Vânia M. M. Melo, Edson Rodrigues Filho, Maria da Conceição F. de Oliveira and Letícia V. Costa-Lotufo
    Structure      13C NMR   碳谱模拟图

    3 .     (1S,2R,5R)-1-ethoxy-3-oxabicyclo[3.2.0]-heptane-2-carboxylic acid methyl ester
    C10H16O4     相似度:50%
    Indian Journal of Chemistry          2006          45B          2474-2484
    Asymmetric induction in copper (I)-catalyzed intramolecular [2 + 2] photocycloaddition: Synthesis of enantiopure cyclobutane derivatives
    Sarkar,Niladri; Ghosh,Subrata
    Structure      13C NMR   碳谱模拟图

    4 .     [(1S,2S,5R)-1-ethoxy,2-methyl-3-oxabicyclo[3.2.0]hept-2-yl]-methanol
    C10H18O3     相似度:50%
    Indian Journal of Chemistry          2006          45B          2474-2484
    Asymmetric induction in copper (I)-catalyzed intramolecular [2 + 2] photocycloaddition: Synthesis of enantiopure cyclobutane derivatives
    Sarkar,Niladri; Ghosh,Subrata
    Structure      13C NMR   碳谱模拟图

    5 .     methyl (2R,3R)-2-(dibenzylamino)-3-fluorobutanoate
    C19H22FNO2     相似度:50%
    Helvetica Chimica Acta          2011          94          1908-1942
    Stereoselective Preparation of 3-Amino-2-fluoro Carboxylic Acid Derivatives, and Their Incorporation in Tetrahydropyrimidin-4(1H)-ones, and in Open-Chain and Cyclic β-Peptides (pages 1908–1942)
    Tomohiro Yoshinari, François Gessier, Christian Noti, Albert K. Beck and Dieter Seebach
    Structure      13C NMR   碳谱模拟图

    6 .     N-ethyl-N-phenylsulfonyl-L-alanine methyl ester
    C12H17NO4S     相似度:50%
    Tetrahedron          2011          67          9708-9714
    N-Alkylation of N-arylsulfonyl-α-amino acid methyl esters by trialkyloxonium tetrafluoroborates
    Rosaria De Marco, Maria Luisa Di Gioia, Angelo Liguori, Francesca Perri, Carlo Siciliano, Mariagiovanna Spinella
    Structure      13C NMR   碳谱模拟图
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2楼2012-11-16 20:12:02
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heroqe

木虫 (小有名气)
送鲜花一朵
引用回帖:
3楼: Originally posted by 木风枫pan at 2012-11-16 20:17:24
1 .     1-(β-D-2'-Deoxyribofuranosyl)-4-pyrimidinone
C9H12O4N2     相似度:55.5%
Bioorganic & Medicinal Chemistry          2011          19          2443-2449
Desulfurization of 2-thiouracil ...

谢谢
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4楼2012-11-16 20:31:54
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