24小时热门版块排行榜    

查看: 271  |  回复: 2

swaucq

金虫 (正式写手)

[求助] 微谱求助化合物结构

compound1:
17.5,18.4,20.4,57.2,59.6,78.9,103.2,104.4,118.7,130.9,139.3,142.6,174.4,199.9
compound2:
51.3,71.3,73.5,75.6,75.7,106.4,107.4,116.6,126.3,126.5,127.2,127.3,129.3,130.7,134.2,135.3,136.0,138.5,148.0,151.6,169.0,
回复此楼
不卑不亢
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

潘宪伟

木虫 (正式写手)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与,应助指数 +1
swaucq: 金币+20, ★★★★★最佳答案 2013-03-11 16:57:01
第一个


查询结果:共查到11个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------

1 .     trichodimerol
    相似度:71.4%
The Journal of Antibiotics          2005          58          615-620
Fungal Metabolites, Sorbicillinoid Polyketides and Their Effects on the Activation of Peroxisome Proliferator-activated Receptor FREE
Dongho Lee, Jeong Hyung Lee, Xing Fu Cai, Jin Chul Shin, Kyeong Lee, Young-Soo Hong and Jung Joon Lee
Structure      13C NMR   碳谱模拟图

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

2 .     trichodimerol
C28H32O8     相似度:64.2%
The Journal of Antibiotics          2005          58          621-624
Dihydrotrichodimerol and Tetrahydrotrichodimerol, Two New Bisorbicillinoids, from a Marine-derived Penicillium terrestre FREE
Weizhong Liu, Qianqun Gu, Weiming Zhu, Chengbin Cui and Guotao Fan
Structure      13C NMR   碳谱模拟图

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

3 .     2-tert-butyldimethylsilyloxy-4,5-dimethoxyaminobenzene
C14H26NO3Si     相似度:50%
Journal of Natural Products          1998          61          1174-1176
Isolation and Synthesis of an α-Malamic Acid Derivative from Justicia ghiesbreghtiana
Lotfy D. Ismail, Peter Lorenz, and Frank R. Stermitz
Structure      13C NMR   碳谱模拟图

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

4 .     surinamensin
    相似度:50%
Journal of Natural Products          1985          Vol 48          830-832
Stereoselective Synthesis of 8.0.4' Neolignans: (±)-Surinamensin and (±)-Virolin
Susana A. Zacchino, Héctor Badano
Structure      13C NMR   碳谱模拟图

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

5 .     compound 7
    相似度:50%
Tetrahedron Letters          2000          41          8311-8315
The cooperative effect of electrostatic and hydrophobic forces in the complexation of cationic molecules by a water-soluble resorcin[4]arene derivative
Seong Jin Park, Jong-In Hong
Structure      13C NMR   碳谱模拟图

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

6 .     (2S)-3-methyl-2-{[(E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]amino}butanoic acid
C17H23NO6     相似度:50%
Heterocycles          2009          77          1249-1259
Preparation and Synthetic Applications of N-(α,β-Unsaturated Acyl)-α-amino Acid Derivatives
Alan R. Katritzky, Reena Gyanda, Nabin K. Meher, and Yuming Song
Structure      13C NMR   碳谱模拟图

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

7 .     p-CoumaroyI-D-valine
    相似度:50%
Archives of Pharmacal Research          1994          17          48-50
p -coumaroylamino acids from yeast-elicited Ephedra distachya cultures
Kyung-Sik Song, Ushio Sankawa and Yutaka Ebizuka
Structure      13C NMR   碳谱模拟图

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

8 .     4-(2-Methoxycarbonylvinyl)-1-(2,4,6-trimethylbenzoyl)-1H-pyrazole
C17H18N2O3     相似度:50%
Heterocycles          2011          83          827-835
Heck-Mizoroki Reaction of 4-Iodo-1H-pyrazoles
Yoshihide Usami,* Hayato Ichikawa, and Shinya Harusawa
Structure      13C NMR   碳谱模拟图

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

9 .     6-(2-Hydroxyethyl)-5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
C16H17N3O2     相似度:50%
Tetrahedron          2012          68          988-994
Regioselective synthesis of fused pyrazolo[1,5-a]pyrimidines by reaction of 5-amino-1H-pyrazoles and β-dicarbonyl compounds containing five-membered rings
Jaime Portilla, Jairo Quiroga, Manuel Nogueras, Justo Cobo
Structure      13C NMR   碳谱模拟图

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

10 .     5-bromo-3-(3,5-dimethyl-1H-pyrrol-2-ylmethylene)-1,3-dihydroindol-2-one
    相似度:50%
Bioorganic & Medicinal Chemistry          2010          18          1482-1496
Synthesis, structure–activity relationship and crystallographic studies of 3-substituted indolin-2-one RET inhibitors
Luca Mologni, Roberta Rostagno, Stefania Brussolo, Phillip P. Knowles, Svend Kjaer, Judith Murray-Rust, Enrico Rosso, Alfonso Zambon, Leonardo Scapozza, Neil Q. McDonald, Vittorio Lucchini, Carlo Gambacorti-Passerini
Structure      13C NMR   碳谱模拟图

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

11 .     compound 28
C15H22O8S     相似度:50%
European Journal of Organic Chemistry          2010                   5100-5107
Formal Total Synthesis of (–)-Raphidecursinol B
Sanjit Kumar Das, Sajal Kumar Das and Gautam Panda
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------
专业
2楼2013-03-11 12:09:08
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

潘宪伟

木虫 (正式写手)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
swaucq: 金币+20, ★★★★★最佳答案 2013-03-11 16:57:13
第二个


查询结果:共查到345个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------

1 .     1-((E)-Cinnamyloxymethyl)-6-(3,5-dichlorobenzyl)-5-ethyluracil
C23H22Cl2N2O3     相似度:66.6%
Archiv der Pharmazie          2005          338          299-304
Synthesis of 6-(3,5-Dichlorobenzyl) Derivatives as Isosteric Analogues of the HIV Drug 6-(3,5-Dimethylbenzyl)-1-(ethoxymethyl)-5-isopropyluracil (GCA-186)
Esben R. Sørensen, Nasser R. El-Brollosy, Per T. Jørgensen, Erik B. Pedersen and Claus Nielsen
Structure      13C NMR   碳谱模拟图

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

2 .     6-(3,5-Dichlorobenzyl)-1-((E)-2-methyl-3-phenyl-allyloxymethyl)-5-ethyluracil
C24H24Cl2N2O3     相似度:66.6%
Archiv der Pharmazie          2005          338          299-304
Synthesis of 6-(3,5-Dichlorobenzyl) Derivatives as Isosteric Analogues of the HIV Drug 6-(3,5-Dimethylbenzyl)-1-(ethoxymethyl)-5-isopropyluracil (GCA-186)
Esben R. Sørensen, Nasser R. El-Brollosy, Per T. Jørgensen, Erik B. Pedersen and Claus Nielsen
Structure      13C NMR   碳谱模拟图

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

3 .     6-hydroxy-6-(benzoylmethyl)indolo[2,1-b]quinazolin-12-one
C23H16N2O3     相似度:61.9%
Journal of Natural Products          2008          71(7)          1275-1279
Isolation, Structure Elucidation, and Synthesis of Cytotoxic Tryptanthrin Analogues from Phaius mishmensis
Chen-Wei Jao, Wei-Chih Lin, Yao-Ting Wu, and Pei-Lin Wu
Structure      13C NMR   碳谱模拟图

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

4 .     Methyl-9-chlor-5-(2-methylanilino)benzo[c][2,7]naphthyridin-1-carboxylat
C21H16ClN2O3     相似度:61.9%
Pharmazie          2007          62          15-26
Benzo[c][2,7]naphthyridin-5-yl-amine und Benzo[h][1,6]naphthyridin-5-yl-amine – Potenzielle Antimalariamittel / Benzo[c][2,7]naphthyridine-5-yl-amines and benzo[h][1,6]naphthyridine-5-yl-amines – potential antimalarials
K. Görlitzer, M. Bode, P. G. Jones, H. Jomaa and J. Wiesner
Structure      13C NMR   碳谱模拟图

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

5 .     trans-5-Formyl-1-tolyl-3-[2-(2-vinylphenyl)ethenyl]pyrazole
    相似度:61.9%
Tetrahedron Letters          2004          45          9057-9060
Photochemistry of β-(4-sydnonyl)-o-divinylbenzene: competitive cis-trans isomerization and photolysis
Kristina Butković, Nikola Basarić, Kristijan Lovreković, Željko Marinić, Aleksandar Višnjevac, Biserka Kojić-Prodić, Marija Šindler-Kulyk
Structure      13C NMR   碳谱模拟图

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

6 .     3-phenylprop-2-enal O-(phenylmethyl)oxime
C16H15NO     相似度:61.9%
Helvetica Chimica Acta          2012          95          1758-1772
Metal-Free 2,2,6,6-Tetramethylpiperidin-1-yloxy Radical (TEMPO) Catalyzed Aerobic Oxidation of Hydroxylamines and Alkoxyamines to Oximes and Oxime Ethers
Sebastian Wertz and Armido Studer
Structure      13C NMR   碳谱模拟图

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

7 .     6-amino-1-((2-chloro-8-methylquinolin-3-yl)methyleneamino)-4-(3-nitrophenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile
C24H14ClN7O3     相似度:60.8%
Indian Journal of Chemistry          2012          51B          1011-1019
Synthesis, characterization and antimicrobial screening of some quinoline based dihydropyridine and 2-oxo-azetidine derivatives
Desai, N C; Harsora, J P
Structure      13C NMR   碳谱模拟图

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

8 .     tert-butyl N-benzyl-(1E,3R,4R,5R,6R,7S)-4,5,6-tris(benzyloxy)-7-hydroxy-1-phenylnona-1,8-dien-3-ylcarbamate
C48H53NO6     相似度:59.0%
European Journal of Organic Chemistry          2010                   3337-3344
Total Synthesis of Calystegine B4
Panawan Moosophon, Morwenna C. Baird, Somdej Kanokmedhakul and Stephen G. Pyne
Structure      13C NMR   碳谱模拟图

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

9 .     compound 1a
C24H24O11     相似度:57.1%
Chemical & Pharmaceutical Bulletin          1988          36          3654-3658
Studies on the Nepalese Crude Drugs. XI. : On the Flavonoid Constituents of the Aerial Parts of Scutellaria discolor COLEBR.
TSUYOSHI TOMIMORI,YUKINORI MIYAICHI,YOSHITAKA IMOTO,HARUHISA KIZU and TSUNEO NAMBA
Structure      13C NMR   碳谱模拟图

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

10 .     heliangolide
C22H28O6     相似度:57.1%
Natural Product Research          1994          5          47-54
Sesquiterpene Lactones from Centaurea paui
Luz Cardona; Begoñta Garcia; Francisca I. Navarro; José R. Pedro
Structure      13C NMR   碳谱模拟图

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

11 .     Salireposide
C20H22O9     相似度:57.1%
Phytochemistry          1993          32          747-754
Phenolic, iridoid and ionyl glycosides from Homalium ceylanicum
Opinya A. Ekabo, Norman R. Farnsworth, Thawatchai Santisuk, Vichai Reutrakul
Structure      13C NMR   碳谱模拟图

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

12 .     7-(4-Isopropylphenyl)-1-p-toluenesulfonyl-1H,7H-benzo[g] indole-6,8-dione
C26H22N2O4S     相似度:57.1%
Journal of Heterocyclic Chemistry          2009          46          1285-1295
Access to indoles via Diels-Alder reactions of 3-vinylpyrroles
Wayland E. Noland and Nicholas P. Lanzatella
Structure      13C NMR   碳谱模拟图

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

13 .     4-[3-(4-Biphenyl)-5-trifluoromethyl-1H-pyrazol-1-yl]-7-chloro- quinoline
C25H15ClF3N3     相似度:57.1%
Journal of Heterocyclic Chemistry          2005          42          1055-1061
An efficient and regiospecific preparation of trifluoromethyl substituted 4-( 1H-pyrazol-1-yl)-7-chloroquinolines
Helio G. Bonacorso,Cleber A. Cechinel,Marli R. Oliveira,Michelle B. Costa,Marcos A. P. Martins,Nilo Zanatta and Alex F. C. Flores
Structure      13C NMR   碳谱模拟图

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

14 .     1-phenylsulfonyl methyl 2-(3-phenylthio)-1H-indol-2-yl)acetate
C23H19NO4S2     相似度:57.1%
Indian Journal of Chemistry          2009          48B          858-864
A facile preparation of methyl indolylacetates via Stille carbonylation of N-protected bromomethylindoles
Ramesh,Neelamegam; Dhayalan,Vasudevan; Sureshbabu,Radhakrishnan; Mohanakrishnan,Arasambattu K
Structure      13C NMR   碳谱模拟图

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

15 .     (3RS,4RS,5RS)-3,4-epoxy-5-{4-[4-(1-naphthyl)-1H-1,2,3-triazol-1-yl]benzyloxy}piperidine
    相似度:57.1%
Heterocycles          2010          80          1249-1265
Synthesis and Evaluation of Novel 3,4-Epoxypiperidines as Efficient DNA Alkylating Agents
Yuji Kawada, Tetsuya Kodama, Kazuyuki Miyashita, Takeshi Imanishi, and Satoshi Obika
Structure      13C NMR   碳谱模拟图

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

16 .     (SFc)-2-(boranatodiphenylphosphanyl)-1-(2-bromophenyl)ferrocene
C28H25BBrFeP     相似度:57.1%
Heterocycles          2009          78          3001-3010
Synthesis of Optically Active P-Chirogenic Ferrocene-Fused Benzophosphole by Diastereoselective Intramolecular Cyclization of Phosphanylferrocene Derivatives
Shuji Yasuike, Jun-ichi Hagiwara, Hiroshi Danjo, Masatoshi Kawahata, Naoki Kakusawa, Kentaro Yamaguchi, and Jyoji Kurita
Structure      13C NMR   碳谱模拟图

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

17 .     ethyl 4-(1-naphthylphenyl)-6-phenyl-3,4-dihydropyrimidin-2(1H)-one-5-carboxylate
C23H18N2O3     相似度:57.1%
Heterocycles          2008          76          715-726
Oxidative Conversion of Functionalized 3, 4-Dihydopyrimidin-2(1H)-ones to the Corresponding Pyrimidin-2(1H)-ones Using Activated Carbon-Molecular Oxygen System
Ken-ichi Okunaga, Yukiko Nomura, Kenjiro Kawamura, Natsuki Nakamichi, Kazuo Eda, and Masahiko Hayashi
Structure      13C NMR   碳谱模拟图

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

18 .     (1R,2S)-1-(4-benzyloxyphenyl)-2-[(2-nitrophenylsulfonyl)amino]-1-propyl acetate
C24H24N2O7S     相似度:57.1%
Heterocycles          2008          76          1633-1645
Catalytic Asymmetric Synthesis of (-)-Ritodrine Hydrochloride via Silyl Enol Ether Amination Using Dirhodium(II) Tetrakis[tetrafluorophthaloyl-(S)-tert-leucinate]
Masahiko Tanaka, Seiichi Nakamura, Masahiro Anada, and Shunichi Hashimoto
Structure      13C NMR   碳谱模拟图

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

19 .     (±)-(E)-2-methoxy-3-methyl-4-phenyl-1-phenylsulfenyl-3-phenylsulfonyl-1-butene
C24H24O3S2     相似度:57.1%
Heterocycles          2004          62          583-618
Intramolecular [4+3] Cycloadditions. Towards a Synthesis of Widdrol
Michael Harmata,* Mehmet Kahraman, Gilbert Adenu, and Charles L. Barnes
Structure      13C NMR   碳谱模拟图

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

20 .     compound 16
C30H36O3Si     相似度:57.1%
Heterocycles          2003          60          2057-2063
Enantioselective Synthesis of Mono- and Disubstituted 3,6-Dihydro-2H-pyrans and 5,6-Dihydropyran-2-ones
Irene Izzo,* Pasquale Del Gaudio, Carmela Della Monica, Maria Squitieri, and Francesco De Riccardis*
Structure      13C NMR   碳谱模拟图

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

21 .     Methyl-5-(2-methylanilino)benzo[c][2,7]naphthyridin-1-carboxylat
C18H17N3O2     相似度:57.1%
Pharmazie          2007          62          15-26
Benzo[c][2,7]naphthyridin-5-yl-amine und Benzo[h][1,6]naphthyridin-5-yl-amine – Potenzielle Antimalariamittel / Benzo[c][2,7]naphthyridine-5-yl-amines and benzo[h][1,6]naphthyridine-5-yl-amines – potential antimalarials
K. Görlitzer, M. Bode, P. G. Jones, H. Jomaa and J. Wiesner
Structure      13C NMR   碳谱模拟图

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

22 .     compound 12
C52H62O6Si2     相似度:57.1%
Tetrahedron Letters          2005          46          743-745
1,3:4,6-Di-O-benzylidene-d-mannitol as a source for novel chiral intermediates through regioselective reductive cleavage
Appu Aravind, Sundarababu Baskaran
Structure      13C NMR   碳谱模拟图

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

23 .     compound 2a
C27H24N2O5S     相似度:57.1%
Tetrahedron Letters          2005          46          8177-8179
Synthesis of fused heterocycles with a benzazepinone moiety via intramolecular Heck coupling
Lionel Joucla, Aurélien Putey, Benoît Joseph
Structure      13C NMR   碳谱模拟图

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

24 .     N-((5-(Benzoimidazol-2-yl)methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)-2-(naphthalen-2-yloxy)acetamide
C29H24N6O2S     相似度:57.1%
Archiv der Pharmazie          2010          343          397-403
Amino Acid Derivatives,Part 4: Synthesis and Anti-HIV Activity of New Naphthalene Derivatives
Nawar S. Hamad, Nahed H. Al-Haidery, Iman A. Al-Masoudi, Mey Sabri, Luma Sabri and Najim A. Al-Masoudi
Structure      13C NMR   碳谱模拟图

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

25 .     4-(Thiophen-2-yl)-2-p-tolyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione(syn-isomer)
    相似度:57.1%
Archiv der Pharmazie          2010          343          81-90
Synthesis of α-and β-Pyran Naphthoquinones as a New Class of Antitubercular Agents
Sabrina B. Ferreira, Fernando de Carvalho da Silva, Flávio A. F. M. Bezerra, Maria C. S. Lourenço, Carlos R. Kaiser, Angelo C. Pinto and Vitor F. Ferreira
Structure      13C NMR   碳谱模拟图

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

26 .     Methyl 1-Benzyl-2-p-tolyl-1H-indole-3-carboxylate
C24H21NO2     相似度:57.1%
European Journal of Organic Chemistry          2012                   2549-2559
A General Synthesis of Indole-3-carboxylic Esters by Palladium-Catalyzed Direct Oxidative Carbonylation of 2-Alkynylaniline Derivatives
Bartolo Gabriele, Lucia Veltri, Raffaella Mancuso, Giuseppe Salerno and Mirco Costa
Structure      13C NMR   碳谱模拟图

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

27 .     methyl (2S,3S)-1-benzyl-3-(tert-butyldiphenylsilyloxy)pyrrolidine-2-carboxylate
C29H35NO3Si     相似度:57.1%
European Journal of Organic Chemistry          2012                   2023-2040
Access to Optically Active 3-Aminopiperidines by Ring Expansion of Prolinols: Thermodynamic versus Kinetic Control
Anne Cochi, Domingo Gomez Pardo and Janine Cossy
Structure      13C NMR   碳谱模拟图

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

28 .     compound 23
C26H28O3Se     相似度:57.1%
Heterocycles          2002          57          293-305
Stereoselective Synthesis of Substituted Tetrahydropyran Rings via 6-exo and 6-endo Selenoetherification
Carmela Aprile, Michelangelo Gruttadauria,* Paolo Lo Meo, Serena Riela, and Renato Noto
Structure      13C NMR   碳谱模拟图

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

29 .     [1-(β-D-gluco-hept-2-ulopyranosyl)-4-(2-naphthyl)-1,2,3-triazole]onamide
C19H20N4O6     相似度:57.1%
Bioorganic & Medicinal Chemistry          2010          18          1171-1180
Synthesis of 1-(d-glucopyranosyl)-1, 2, 3-triazoles and their evaluation as glycogen phosphorylase inhibitors
éva Bokor, Tibor Docsa, Pál Gergely, László Somsák
Structure      13C NMR   碳谱模拟图

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

30 .     1,3-diphenyl-5-(3-phenyl-1-phthalimidoaziridin-2-yl)-1H-pyrazole
C31H22N4O2     相似度:57.1%
Russian Journal of Organic Chemistry          2005          41          1793-1801
Oxidative Addition of N-Aminophthalimide to Alkenyl-4,5-dihydropyrazoles and Alkenylpyrazoles. Synthesis of Aziridinylpyrazoles
O. A. Ignatenko, A. N. Blandov and M. A. Kuznetsov
Structure      13C NMR   碳谱模拟图
专业
3楼2013-03-11 12:09:45
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖
相关版块跳转 我要订阅楼主 swaucq 的主题更新
信息提示
请填处理意见