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yyd7777777

铁虫 (小有名气)

[求助] 两个化合物-----求助可以查微谱数据的虫子~

先谢谢能帮我查的虫友啦!!!

化合物1
溶剂 MeOD
19.36,22.07,31.09,47.18,54.96,117.79,118.11,128.09,128.24,130.41,132.34,164.46

化合物2
溶剂MeOD
31.33,32.95,62.05,127.10,127.63,135.89
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audreygc

铁杆木虫 (正式写手)

【答案】应助回帖


感谢参与,应助指数 +1
jiangchunyong: 金币+1, 谢谢 2012-12-04 15:29:50
第一个


查询结果:共查到18个化合物(查询结果仅供参考)  
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1 .     deoxyvasicine
    相似度:91.6%
Journal of China Pharmaceutical University          1998          29          100-104
Studies on the Chemical Constituents of Peganum multisectum Maxim Ⅱ Flavonoids and Alkaloids from Aerial Part of Plant
Duan Jinao; Che Chuntao; Zhou Ronghan; Zhao Shouxun; Wang Mingshi
Structure      13C NMR   碳谱模拟图

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2 .     linarinic Acid
    相似度:58.3%
Chemical & Pharmaceutical Bulletin          2002          50(10)          1393-1394
A New Pyrroloquinazoline Alkaloid from Linaria vulgaris
Huiming HUA,Maosheng CHENG, Xian LI, and Yuehu PEI
Structure      13C NMR   碳谱模拟图

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3 .     (±)-8',8',8'-Trifluoro-ABA
C16H19O4F3     相似度:53.8%
Phytochemistry          1995          38          561-568
8', 8'-Difluoro- and 8', 8', 8'-trifluoroabscisic acids as highly potent, long-lasting analogues of abscisic acid
Yasushi Todoroki, Nobuhiro Hirai, Koichi Koshimizu
Structure      13C NMR   碳谱模拟图

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4 .     2-deoxypeganylacetic acid
C13H14N2O2     相似度:53.8%
Helvetica Chimica Acta          2011          94          514-518
Two New Alkaloids from the Aerial Part of Peganum nigellastrum
Fei Yang, Rong Chen, Lin Feng, Hai-Dao Li and Hua Zhang
Structure      13C NMR   碳谱模拟图

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




5 .     Peganine bis(dioxolano)borate
    相似度:50%
Chemistry of Natural Compounds          2009          45          601-603
SYNTHESIS OF QUATERNARY SALTS OF Peganum harmala ALKALOIDS
A. Zh. Turmukhambetov, M. T. Agedilova, Zh. S. Nurmaganbetov,A. V. Kazantsev,1 E. E. Shul′ts M. M. Shakirov,I. Yu. Bagryanskaya, and S. M. Adekenov1
Structure      13C NMR   碳谱模拟图

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6 .     meridianin F
C12H8N4Br2     相似度:50%
Natural Product Research          2007          21          555-563
Identification of two meridianins from the crude extract of the tunicate Aplidium meridianum by tandem mass spectrometry
A. M. Seldes; M. F. Rodriguez Brasco; L. Hernandez Franco; J. A. Palermo
Structure      13C NMR   碳谱模拟图

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7 .     7-Amino-5,7,8,9-tetrahydro-benzocyclohepten-6-one,hydrochloride
    相似度:50%
Bioorganic & Medicinal Chemistry          2011          19          1434-1449
Amino-benzosuberone: A novel warhead for selective inhibition of human aminopeptidase-N/CD13
Sébastien Albrecht, Mira Al-Lakkis-Wehbe, Alban Orsini, Albert Defoin, Patrick Pale,Emmanuel Salomon, Céline Tarnus, Jean-Marc Weibel
Structure      13C NMR   碳谱模拟图

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




8 .     Cyclo-(L-tyrosyl-D-proline)
C14H16N2O3     相似度:50%
Chemistry of Natural Compounds          2011          Vol. 47, No. 3          494-495
METABOLITES FROM THE MARINE ACTINOBACTERIUM Streptomyces sp. KMM 7210
O. I. Zhuravleva, E. V. Leshchenko, Sh. Sh. Afiyatullov, M. P. Sobolevskaya, V. A. Denisenko, and L. S. Shevchenko
Structure      13C NMR   碳谱模拟图

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9 .     Meridianin F
    相似度:50%
Marine drugs          2010          8          1526-1549
Halogenated Indole Alkaloids from Marine Invertebrates
Patrícia Mendonça Pauletti,Lucas Silva Cintra,Caio Guedes Braguine,Ademar Alves da Silva Filho,Márcio Luís Andrade e Silva,Wilson Roberto Cunha and Ana Helena Januário
Structure      13C NMR   碳谱模拟图

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10 .     2-[bis-(2-chloro-ethyl)]-(2-isobutyl-imino-2,3-dihydro-1H-1,3-diaza-2λ 5-phosphaphenalen-2-yl)-amine
C18H25N4PCl2     相似度:50%
Journal of Heterocyclic Chemistry          2008          45          1337-1341
Synthesis and bio-activity of novel iminophosphoranes
Ch. Mohan,B. Hari Babu,C. Naga Raju,C. Suresh Reddy and V. Janardhan Reddy
Structure      13C NMR   碳谱模拟图

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11 .     3-Bromo-2',6-dihydroxydiphenylmethane
    相似度:50%
Bioorganic & Medicinal Chemistry Letters          2008          18          104-108
Antimicrobial activities of the bromophenols from the red alga Odonthalia corymbifera and some synthetic derivatives
Ki-Bong Oh, Ji Hye Lee, Soon-Chun Chung, Jongheon Shin, Hee Jae Shin, Hye-Kyeong Kim, Hyi-Seung Lee
Structure      13C NMR   碳谱模拟图

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12 .     N-acetyl-7-nitrotryptophanmethyl ester
C14H15N3O5     相似度:50%
Magnetic Resonance in Chemistry          2009          47          273-276
Synthesis and NMR characteristics of N-acetyl-4-nitro, N-acetyl-5-nitro, N-acetyl-6-nitro and N-acetyl-7-nitrotryptophan methyl esters (pages 273–276)
Russell R. King and Larry A. Calhoun
Structure      13C NMR   碳谱模拟图

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13 .     4'-O-甲基根皮素
    相似度:50%
Chinese Traditional and Herbal Drugs          2005          36          21-23
羊踯躅花蕾中的二氢查耳酮
王素娟,杨永春,石建功
Structure      13C NMR   碳谱模拟图

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14 .     dipeptide
C14H16N2O3     相似度:50%
Russian Chemical Bulletin          2008          57          665-668
Biologically active metabolites of the actinobacterium Streptomyces sp. GW 33/1593
M. P. Sobolevskaya, V. A. Denisenko, S. Fotso, H. Laach and N. I. Menzorova, et al.
Structure      13C NMR   碳谱模拟图

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15 .     psammaplin I
    相似度:50%
The Journal of Organic Chemistry          2003          68          3866-3873
Psammaplins from the Sponge Pseudoceratina purpurea: Inhibition of Both Histone Deacetylase and DNA Methyltransferase
Ivette C. Piña, Jeffrey T. Gautschi, Gui-Yang-Sheng Wang, Miranda L. Sanders, Francis J. Schmitz, Dennis France, Susan Cornell-Kennon, Lidia C. Sambucetti, Stacy W. Remiszewski, Larry B. Perez, Kenneth W. Bair, and Phillip Crews
Structure      13C NMR   碳谱模拟图

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16 .     (1S,6R)-3-methyl-6-phenyl-3-azabicyclo[4.1.0]heptan
    相似度:50%
Bioorganic & Medicinal Chemistry          2008          16          3557-3564
Stereochemical studies on the novel monoamine oxidase B substrates (1R,6S)- and (1S,6R)-3-methyl-6-phenyl-3-aza-bicyclo[4.1.0]heptane
Philippe Bissel, Ashraf Khalil, John M. Rimoldi, Kazuo Igarashi, Dale Edmondson, Anthony Miller, Neal Castagnoli Jr.
Structure      13C NMR   碳谱模拟图

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17 .     compound 35
C14H17N3O6     相似度:50%
The Journal of Antibiotics          2003          56          160-168
N(2)-Substituted D, L-Cycloserine Derivatives Synthesis and Evaluation as Alanine Racemase Inhibitors
MYOUNG GOO KIM,ULRICH STRYCH,KURT KRAUSE,MICHAEL BENEDIK and HAROLD KOHN
Structure      13C NMR   碳谱模拟图

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18 .     1-Methyl-3-(4-phenoxy-benzyl)-thiourea
    相似度:50%
Archives of Pharmacal Research          2012          35          1393-1401
N-methylthioureas as new agonists of retinoic acid receptor-related orphan receptor
Yohan Park, Suckchang Hong, Myungmo Lee, Hyojun Jung and Won-Jea Cho, et al.
Structure      13C NMR   碳谱模拟图
2楼2012-12-04 15:28:51
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audreygc

铁杆木虫 (正式写手)

【答案】应助回帖

★ ★ ★ ★ ★ ★
yyd7777777: 金币+6, ★★★★★最佳答案 2012-12-04 15:43:33
第二个
查询结果:共查到8个化合物(查询结果仅供参考)  
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1 .     6-(3-Hydroxypropyl)pyridazin-3(2H)-one
C7H11N2O2     相似度:57.1%
Magnetic Resonance in Chemistry          2011          49          437-442
Synthesis and complete assignment of the 1Hand 13C NMR spectra of 6-substituted and 2,6-disubstituted pyridazin-3(2H)-ones
Pedro Besada, Tamara Costas, Noemi Vila, Carla Chessa and Carmen Terán
Structure      13C NMR   碳谱模拟图

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2 .     2-(4-chlorophenyl)methylimidazole
C10H9N2Cl     相似度:57.1%
Tetrahedron          2004          60          9857-9862
A novel synthetic method for 2-arylmethyl substituted imidazolines and imidazoles from 2-aryl-1,1-dibromoethenes
Dal Ho Huh, Hoejin Ryu, Young Gyu Kim
Structure      13C NMR   碳谱模拟图

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3 .     compound 2
Cl2H14O4     相似度:50%
Chemistry of Natural Compounds          1999          35          404-408
SYNTHESIS OF a-MONOGLYCERIDES OF AROMATIC ACIDS
A. F. Artamonov, F. S. Nigmatullina,M. T. Aldabergenova, and B. Zh. Dzhiembaev
Structure      13C NMR   碳谱模拟图

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4 .     6-(3-Hydroxypropyl)-2-methylpyridazin-3(2H)-one
C8H12N2O2     相似度:50%
Magnetic Resonance in Chemistry          2011          49          437-442
Synthesis and complete assignment of the 1Hand 13C NMR spectra of 6-substituted and 2,6-disubstituted pyridazin-3(2H)-ones
Pedro Besada, Tamara Costas, Noemi Vila, Carla Chessa and Carmen Terán
Structure      13C NMR   碳谱模拟图

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




5 .     1,15-pentadecanediol
C15H32O2     相似度:50%
Bioorganic & Medicinal Chemistry          2011          19          6525-6542
The anti-malarial activity of bivalent imidazolium salts
Jason Z. Vlahakis, Simona Mitu, Gheorghe Roman, E. Patricia Rodriguez, Ian E. Crandall, Walter A. Szarek
Structure      13C NMR   碳谱模拟图

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




6 .     1,18-octadecanediol
C18H38O2     相似度:50%
Bioorganic & Medicinal Chemistry          2011          19          6525-6542
The anti-malarial activity of bivalent imidazolium salts
Jason Z. Vlahakis, Simona Mitu, Gheorghe Roman, E. Patricia Rodriguez, Ian E. Crandall, Walter A. Szarek
Structure      13C NMR   碳谱模拟图

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




7 .     compound 2b
    相似度:50%
Tetrahedron          1997          53          5877-5882
Novel antiproliferative alkyl sulfates from the Mediterranean tunicate Ascidia mentula
Anna Aiello, Ernesto Fattorusso, Marialuisa Menna, Rosa Carnuccio, Fulvio D'Acquisto
Structure      13C NMR   碳谱模拟图

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8 .     1,12-bis-(4-tert-butylpyridinium)dodecane dibromide
C30H50Br2N2     相似度:50%
Bioorganic & Medicinal Chemistry          2009          17          6329-6339
Synthesis, antifungal, haemolytic and cytotoxic activities of a series of bis(alkylpyridinium)alkanes
Daniel Obando, Namfon Pantarat, Rosemary Handke, Yasuko Koda, Fred Widmer, Julianne T. Djordjevic, David H. Ellis, Tania C. Sorrell, Katrina A. Jolliffe
Structure      13C NMR   碳谱模拟图
3楼2012-12-04 15:29:36
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yyd7777777

铁虫 (小有名气)

哈哈~谢谢楼上虫友~~
4楼2012-12-04 15:44:03
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audreygc

铁杆木虫 (正式写手)

引用回帖:
4楼: Originally posted by yyd7777777 at 2012-12-04 15:44:03
哈哈~谢谢楼上虫友~~

5楼2012-12-05 17:50:56
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