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新虫 (初入文坛)

[求助] 微谱求助,万分感激

微谱求助:
化合物1 C谱204.63,191.85,165.40,147.49,138.43,135.61,127.83,127.02,66.70,65.62,35.06,25.67,24.57,14.19,7.36
化合物2C谱 174.17,163.74,156.08,122.09,74.48,68.63,68.16,51.23,32.81,24.80,9.86
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牛虻维特

金虫 (小有名气)

【答案】应助回帖


感谢参与,应助指数 +1
PSA: 金币+1, 3u 2013-01-28 16:21:10
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 .     erythrocentaurin
C10H8O3     相似度:53.3%
Planta Medica          1989          55          147-150
Metabolism of Swertiamarin from Swertiajaponica by Human Intestinal Bacteria
Add I. El-Sedawy, Yue-Zhong Shu, Masao Hattori,KyoichiKobashi, and Tsuneo Namba
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

2 .     8-benzyl-8-aza-bicyclo[3.2.1]oct-6-ene-6-carboxylic acid methyl ester
C16H19NO2     相似度:53.3%
Journal of Heterocyclic Chemistry          2008          45          247-257
Preparation of novel azabicyclic amines and 7 nicotinic acetylcholine receptor activity of derived aryl amides
Daniel P. Walker,Brad A. Acker,E. Jon Jacobsen and Donn G. Wishka
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

3 .     Compound 4a
    相似度:53.3%
Bioorganic & Medicinal Chemistry Letters          1993          3          1247-1252
Simplified analogs of himbacine displaying potent binding affinity for muscarinic receptors
Michael J. Malaska, Abdul H. Fauq, Alan P. Kozikowski, Patricia J. Aagaard, Michael McKinney
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

4 .     (E)-1-{2-[(RS)-1-(4-Methoxyphenyl)-2-oxo-4-phenylazetidin-3-ylidene]propionyloxy}-pyrrolidin-2,5-dione
C23H20N2O6     相似度:53.3%
Pharmazie          2001          56          686-690
β-Lactam derivatives as enzyme inhibitors: Derivatives of (E)-2-[(RS)-1-(4-methoxyphenyl)-2-oxo-4-phenylazetidin-3-ylidene]propionic acid
C. Venz - H.-H. Otto
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

5 .     (rel)-(1'R,4'S)-1-[4-(t-Butyldimethylsilyloxymethyl)-2-methyl-cyclopent-2-en-1-yl] uracil
    相似度:53.3%
Archives of Pharmacal Research          2007          30          131-137
Synthesis of novel 2’-methyl carbovir analogues as potent antiviral agents
Joon Hee Hong
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

6 .     compound 3b
C16H19NO3     相似度:53.3%
Tetrahedron Letters          2003          44          7981-7984
A general and efficient route to enantioselective synthesis of pumiliotoxin A alkaloids via a common key intermediate
Bing Wang, Kai Fang, Guo-Qiang Lin
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

7 .     compound 6e
    相似度:53.3%
Tetrahedron Letters          2005          46          8799-8803
Regioselective construction of polysubstituted pyridine ring from Baylis-Hillman adducts via sequential introduction of tosylamide, Michael reaction, aldol condensation, and elimination of TsH
Da Yeon Park, Mi Jung Lee, Taek Hyeon Kim, Jae Nyoung Kim
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

8 .     L-N,N-dibenzyl-β-methylaspartic acid dibenzyl ester(minor)
C33H33NO4     相似度:53.3%
Tetrahedron          2007          63          131-140
Isolation and structural elucidation of callipeltins J–M: antifungal peptides from the marine sponge Latrunculia sp.
Maria Valeria D'Auria, Valentina Sepe, Rosa D'Orsi, Filomena Bellotta, Cécile Debitus, Angela Zampella
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

9 .     ethyl 3-(4-chlorophenyl)-4-cyano-5-(tetrahydrofuran-2-yl)thiophene-2-carboxylate
C18H16ClNO3S     相似度:53.3%
European Journal of Organic Chemistry          2011                   3920-3931
SNAr and Palladium-Catalyzed Reactions of Deactivated Thiophene: Application to the Synthesis of Protein Farnesyltransferase Inhibitors
Sébastien Lethu and Joëlle Dubois
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

10 .     (±)-cis-2-butyl-2-methyl-1-tetralol
C15H22O     相似度:53.3%
European Journal of Organic Chemistry          2010                   6372-6384
(R)-(+)-[VCD(–)984]-4-Ethyl-4-methyloctane: A Cryptochiral Hydrocarbon with a Quaternary Chiral Center. (1) Synthesis of the Enantiopure Compound and Unambiguous Determination of Absolute Configuration
Takuma Fujita, Kazuhiro Obata, Shunsuke Kuwahara, Atsufumi Nakahashi, Kenji Monde, John Decatur and Nobuyuki Harada
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

11 .     8-hydroxyterrefuranone
C14H20O4     相似度:53.3%
Natural Product Communications          2012          7          1065-1068
Polyketide Metabolites from the Endophytic Fungus Microdiplodia sp. KS 75-1
Yoshihito Shiono, Taiji Hatakeyama, Tetsuya Murayama and Takuya Koseki
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

12 .     methyl 6-[2-(2-methoxy-ethoxy)-ethoxy]-1-oxoindan-4-carboxylate
C16H20O6     相似度:50%
Phytochemistry          2002          61          807-817
Selective induction of secondary metabolism in Phaseolus lunatus by 6-substituted indanoyl isoleucine conjugates
Ryan Lauchli, Göde Schüler, Wilhelm Boland
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

13 .     2-Cyclopentylidenemethyl-3-methyl-but-2-enoic acid benzyl ester
C18H22O2     相似度:50%
Canadian Journal of Chemistry          2005          83          838-842
Rh(I)-catalyzed cleavage of unactivated C-O bonds - Carbonylative rearrangement reactions of allenyl ethers to 2-carboalkoxy-1, 3-dienes1
Paul A. Wender, Nicole M. Deschamps, and Robert Sun
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

14 .     Dibutyl(3-(L-1-benzylamino-4-methyl-1-oxopentan-2-yl)thioureido)(phenyl)methylphosphonate
C29H44N3O4PS     相似度:50%
Molecules          2010          15          5112-5123
Synthesis and Antiviral Bioactivity of Chiral Thioureas Containing Leucine and Phosphonate Moieties
Jingzi Liu, Song Yang, Xiangyang Li, Huitao Fan, Pinaki Bhadury, Weiming Xu, Jian Wu and Zhencao Wang
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

15 .     Dibutyl(3-(L-1-benzylamino-3,3-dimethyl-1-oxobutan-2-yl)thioureido)(phenyl)methylphosphonate
C29H44N3O4PS     相似度:50%
Molecules          2010          15          5112-5123
Synthesis and Antiviral Bioactivity of Chiral Thioureas Containing Leucine and Phosphonate Moieties
Jingzi Liu, Song Yang, Xiangyang Li, Huitao Fan, Pinaki Bhadury, Weiming Xu, Jian Wu and Zhencao Wang
Structure      13C NMR   碳谱模拟图
2楼2013-01-28 15:12:02
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牛虻维特

金虫 (小有名气)

【答案】应助回帖


PSA: 金币+1, thx 2013-01-28 16:21:20
查询结果:共查到6个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------

1 .     methyl (4E)-6,7,9-trihydroxydec-4-enoate
C11H20O5     相似度:54.5%
Helvetica Chimica Acta          2007          Vol. 90          1811
Chemical Constituents of the Endophytic Fungal Strain Phomopsis sp. NXZ-05 of Camptotheca acuminata
Qifang Tan, Xuefen Yan, Xiang Lin, Yaojian Huang, Zhonghui Zheng, Siyang Song, Chunhua Lu, and Yuemao Shen
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

2 .     Methyl 6-(1H-Benzo[d]imidazol-2-yl)hexanoate
C14H18N2O2     相似度:54.5%
Journal of Heterocyclic Chemistry          2005          42          1001-1005
Reaction of 1,3-dicarbonyl compounds with o-phenylenediamine or 3,3'-diaminobenzidine in water or under solvent-free conditions via microwave irradiation
Zhong-Xia Wang and Hua-Li Qin
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

3 .     8R,9R-Dihydroxymatricarine methyl ester
    相似度:54.5%
Archives of Pharmacal Research          2007          30          547-551
A new c- 10 acetylene and a new triterpenoid from Conyza canadensis
Wei Dong Xie, Xue Gao and Zhong Jian Jia
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

4 .     (+)-oxybiotin methyl ester
C11H18N2O4     相似度:54.5%
Tetrahedron          2004          60          5225-5235
A total synthesis of (+)-oxybiotin from d-arabinose
Velimir Popsavin, Goran Benedeković, Mirjana Popsavin, Vladimir Divjaković, Thomas Armbruster
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

5 .     14-Hydroxy-2-oxoguai-1(10),3-dien-5α,11αH-12,6α-olide
    相似度:50%
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
--------------------------------------------------------------------------------

6 .     4-Methoxycarbonylpropyl-3,5-dimethylpyrrole-2-carbaldehyde
C12H17NO3     相似度:50%
Bioorganic & Medicinal Chemistry          2011          19          1264-1267
Synthesis, anticancer activity, and iron affinity of the Actinoplanes metabolite 7,8-dihydroxy-1-methylnaphtho[2,3-c]furan-4,9-dione
Sandra Breyer, Katharina Effenberger-Neidnicht, Sebastian Knauer, Rainer Schobert
Structure      13C NMR   碳谱模拟图
3楼2013-01-28 15:16:23
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牛虻维特

金虫 (小有名气)

查询模式:模糊查询  
碳谱数据输入:
按从小到大顺序输入,数字间用英文半角逗号(,)
4楼2013-01-28 15:24:51
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罗居风采

新虫 (初入文坛)

引用回帖:
4楼: Originally posted by 牛虻维特 at 2013-01-28 15:24:51
查询模式:模糊查询  
碳谱数据输入:
按从小到大顺序输入,数字间用英文半角逗号(,)

好的,谢谢
努力去武装自我
5楼2013-01-31 16:16:38
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