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xxy885

新虫 (初入文坛)

[求助] 求助微谱数据查询

两个碳谱的微谱资源查询,多谢!
溶剂DMSO 24.8,26.1,30.8,46.8,47.4,55.7,70.6,107.1,119.6,128.4,129.8,137.8,140.6,163.0,171.9,178.1

溶剂DMSO 6.9,16.0,16.8,19.6,21.4,21.5,22.0,27.4,31.2,31.7,36.7,40.9,44.6,45.7,50.9,51.5,67.5,83.3,125.0,132.1,170.7,174.1
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wangwang1989

至尊木虫 (职业作家)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与,应助指数 +1
xxy885: 金币+10, ★★★★★最佳答案 2013-07-30 11:43:53
相似度:   %(相似度>=50%)



查询结果:共查到87个化合物(查询结果仅供参考)
1 .     6-{2-[2-(9H-fluoren-9-ylmethoxycarbonyl)-ethyl]-pyrrol-1-yl}-hexanoic acid
C27H29NO4     相似度:57.1%
Bioorganic & Medicinal Chemistry          2009          17          7548-7561
Synthesis and structural characterization of carboxyethylpyrrole-modified proteins: mediators of age-related macular degeneration
Liang Lu, Xiaorong Gu, Li Hong, James Laird, Keeve Jaffe, Jaewoo Choi, John Crabb, Robert G. Salomon
Structure      13C NMR   碳谱模拟图
2 .     compound 4
C16H16N2O5S     相似度:56.2%
Bioorganic & Medicinal Chemistry Letters          2011          21          3117-3121
Synthesis and antiproliferative activity of new cytotoxic azanaphthoquinone pyrrolo-annelated derivatives: Part II
Karem Shanab , Eva Schirmer, Eva Wulz , Barbara Weissenbacher , Sigrid Lassnig, Rita Slanz ,Germana Fösleitner , Wolfgang Holzer, Helmut Spreitzer , Peter Schmidt , Babette Aicher ,Gilbert Müller , Eckhard Günther
Structure      13C NMR   碳谱模拟图
3 .     compound 10
C24H34N4O2     相似度:56.2%
Heterocycles          2009          79          531-548
Synthesis, Structure and Catalytic Activity of Macrocyclic NHC Pd Pincer Complexes
Noriaki Watarai, Hiroyasu Kawasaki, Isao Azumaya, Ryu Yamasaki, and Shinichi Saito
Structure      13C NMR   碳谱模拟图
4 .     (4S)-4,5-Dihydroxy-1-(3-(5-(phenylsulfonyl)furan-2-yl)propyl)pyrrolidin-2-one
C17H19NO6S     相似度:56.2%
Tetrahedron          2012          68          1207-1215
Synthesis of spirocyclic azacycles from the cyclization of furan tethered N-acyliminium ions
Sudhir R. Shengule, Anthony Willis, Stephen G. Pyne
Structure      13C NMR   碳谱模拟图
5 .     4-(4-metoxyphenyl)-4-oxo-N-phenyl-2-(R,S)-(1-piperid-inyl)butyramide
C22H26N2O3     相似度:56.2%
Bioorganic & Medicinal Chemistry          2010          18          1181-1193
4-Aryl-4-oxo-N-phenyl-2-aminylbutyramides as acetyl- and butyrylcholinesterase inhibitors. Preparation, anticholinesterase activity, docking study, and 3D structure–activity relationship based on molecular interaction fields
Maja D. Vitorović-Todorović, Ivan O. Juranić, Ljuba M. Mandić, Branko J. Drakulić
Structure      13C NMR   碳谱模拟图
6 .     4-(4-chlorophenyl)-2-(R,S)-{7-[3-(R,S)-(4-chlorophenyl)-3-oxo-1-phenylcarbamoyl-propylamino]-heptylamino}-4-oxo-N-phenyl-butyramide
C39H42Cl2N4O4     相似度:56.2%
Bioorganic & Medicinal Chemistry          2010          18          1181-1193
4-Aryl-4-oxo-N-phenyl-2-aminylbutyramides as acetyl- and butyrylcholinesterase inhibitors. Preparation, anticholinesterase activity, docking study, and 3D structure–activity relationship based on molecular interaction fields
Maja D. Vitorović-Todorović, Ivan O. Juranić, Ljuba M. Mandić, Branko J. Drakulić
Structure      13C NMR   碳谱模拟图
7 .     (±)-1-(cyclohexylmethyl)-4-phenylazetidin-2-one
C16H21NO     相似度:56.2%
Helvetica Chimica Acta          2012          95          2218-2230
Microwave-Assisted Synthesis of β-Lactams and Cyclo-β-dipeptides
Luis G. Hernández-Vázquez, Marco A. Leyva, Alejandro J. Metta-Magaña and Jaime Escalante
Structure      13C NMR   碳谱模拟图
8 .     (±)-cis-N(6)-Benzyl-9-[2-(N-methylcarbamoyl)cyclopentyl]adenine
C19H22N6O     相似度:52.9%
Bioorganic & Medicinal Chemistry          2008          16          1658-1675
New QSAR combined strategy for the design of A1 adenosine receptor agonists
Maykel Pérez González, Pedro Besada, Maria José González Moa, Marta Teijeira, Carmen Terán
Structure      13C NMR   碳谱模拟图
9 .     compound 8
    相似度:52.9%
Journal of the Chemical Society, Perkin Transactions 1          1983                   1365-1368
The structures of some metabolites of Penicillium diversum: α-and β-diversonolic esters
John S. E. Holker, Eugene O'Brien and Thomas J. Simpson
Structure      13C NMR   碳谱模拟图
10 .     (S)-2-(thiophen-3-ylethynyl)-6a,7,8,9-tetrahydro-5H-pyrido[3,2-e]pyrrolo[1,2-a][1,4]diazepine-6,11-dione
C17H13N3O2     相似度:52.9%
Tetrahedron          2012          68          9572-9577
A novel and convenient method for the synthesis of new derivatives of pyrido[3,2-e]pyrrolo[1,2-a][1,4]diazepine-6,11-dione
Abderrahman El Bouakher, Gildas Prié, Mina Aadil, Said Lazar, Mohamed Akssira, Marie-Claude Viaud-Massuard
Structure      13C NMR   碳谱模拟图
11 .     aurantiomide B
C18H22N4O4     相似度:50%
我有一个梦想,我想当校长
2楼2013-07-30 09:12:54
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wangwang1989

至尊木虫 (职业作家)

【答案】应助回帖

结果:共查到535个化合物(查询结果仅供参考)
1 .     methyl 15-aeeto xy-2-oxo-1(10)-ent-halimen-18-oate
    相似度:65.2%
Phytochemistry          1997          44          1301-1307
Hydrohalimic acids from Halimium viscosum
Dina I. M. D. de Mendonça, Jesus M. L. Rodilla, Anna M. Lithgow, Isidro S. Marcos
Structure      13C NMR   碳谱模拟图
2 .     methyl 15-hydroxy-2-oxo-1(10)-ent-halimen-18-oate
    相似度:63.6%
Phytochemistry          1997          44          1301-1307
Hydrohalimic acids from Halimium viscosum
Dina I. M. D. de Mendonça, Jesus M. L. Rodilla, Anna M. Lithgow, Isidro S. Marcos
Structure      13C NMR   碳谱模拟图
3 .     13-ethyl-gona-4-ene-11α,17β-diacetate
    相似度:60.8%
Steroids          2002          67          145-150
Reduction of aromatic steroidal A rings by lithium in ethyl amine
Emilia Modica, Diego Colombo, Federica Compostella, Antonio Scala, Fiamma Ronchetti
Structure      13C NMR   碳谱模拟图
4 .     18,19-dihydroxy-clerod-3-en-15-oic acid methyl ester diacetate
C23H36O4     相似度:60%
Phytochemistry          1991          30          607-609
Clerodanes from Chrysocoma species
C. Zdero, F. Bohlmann
Structure      13C NMR   碳谱模拟图
5 .     pacificin K
C22H36O3     相似度:59.0%
Chemical & Pharmaceutical Bulletin          2007          55(6)          890-893
Prenylbicyclogermacrane Diterpenoids from the Formosan Soft Coral Nephthea elongata
Ali Ali Hassan EL-GAMAL,Shang-Kwei WANG,and Chang-Yih DUH
Structure      13C NMR   碳谱模拟图
6 .     daphnipaxianine C
C21H29NO2     相似度:59.0%
Journal of Natural Products          2007          70          1628-1631
Daphnipaxianines A–D, Alkaloids from Daphniphyllum paxianum
Shu-Zhen Mu,Chun-Shun Li,Hong-Ping He, Ying-Tong Di, Ye Wang, Yue-Hu Wang, Zhen Zhang, Yang Lü,Li Zhang, and Xiao-Jiang Hao
Structure      13C NMR   碳谱模拟图
7 .     dimethyl 1(10)-halimen-15,18-dioate
C22H36O4     相似度:59.0%
Natural Product Research          2001          15          401-09
BI- and Tricyclic Diterpenoids from Halimium viscosum
Jesüs M. L. Rodilla; Dina I. De Mendonça; M. Isabel; G. Ismael; J. Albertino Figueiredo; Maria Lücia A. Silva; Elisabete Lopes
Structure      13C NMR   碳谱模拟图
8 .     methyl-13-hydroxy-14-isopropyl-9(11),12,14(8)-podocaratriene-19-oate
C21H30O3     相似度:59.0%
Natural Product Research          2006          20          606-610
Cytotoxic diterpenoids from Podocarpus madagascariensis from the Madagascar rainforest
Micah Reynolds; V. S. Prakash Chaturvedula; Fidisoa Ratovoson; Rabodo Andriantsiferana; Vincent E. Rasamison; Rebecca C. Guza; David G. I. Kingston
Structure      13C NMR   碳谱模拟图
9 .     ent-17-hydroxyl-kaur-15-en-3-one
    相似度:59.0%
Natural Product Research          2008          22          1163-1168
Terpenoids from Chloranthus multistachys
Sheng-Ping Yang; Jian-Min Yue
Structure      13C NMR   碳谱模拟图
10 .     19-hydroxykovalic acid
C22H36O5     相似度:59.0%
Phytochemistry          1992          31          1703-1711
Clerodane and labdane derivatives from Olearia teretifolia
C. Zdero, F. Bohlmann, R.M. King
Structure      13C NMR   碳谱模拟图
11 .     15,16-diacetoxy-15,16-4,18-diepoxy-ent-cleroda-12Z-diene
C24H26O6     相似度:59.0%
Tetrahedron          1993          49          9067-9078
Neo-clerodane diterpenoids from aerial parts of li
我有一个梦想,我想当校长
3楼2013-07-30 09:14:53
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xxy885

新虫 (初入文坛)

非常感谢!
4楼2013-07-30 11:42:47
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