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xf890529

木虫 (小有名气)

[求助] 求助4个微谱数据

化合物1 溶剂DMSO
21.63,52.11,55.97,103.40,107.15,107.58,109.14,126.19,127.85,147.42,156.78,158.14,161.68,165.66,199.70
化合物2 溶剂DMSO
18.28,21.96,25.34,29.22,44.85,61.29,61.81,63.78,110.11,116.50,121.67,122.17,127.77,128.00,129.27,135.87,138.09,142.40,154.58,162.88,178.09
化合物3  溶剂DMSO
14.05,59.63,76.39,82.54,114.54,124.93,125.52,126.46,127.27,127.32,129.92,134.74,136.76,138.73,147.42,160.04,172.07
化合物4  溶剂DMSO
21.63,52.18,55.70,56.06,104.77,105.15,105.73,107.41,125.89,133.58,153.52,155.18,155.51,156.31,165.49
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wangwang1989

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【答案】应助回帖

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xf890529: 金币+40, ★★★★★最佳答案, 谢谢 2013-06-18 17:24:39
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(,)分隔例如:
21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2

溶剂选项:
匹配容差: (数字格式,可自行设定)
相似度:   %(相似度>=50%)



查询结果:共查到26个化合物(查询结果仅供参考)
1 .     Sulochrin
C17H16O7     相似度:100%
Bioscience, Biotechnology, and Biochemistry          2003          67          442-444
Hydroxysulochrin, a Tea Pollen Growth Inhibitor from the Fungus Aureobasidium sp.
Atsumi SHIMADA, Chisako SHIOKAWA, Miyako KUSANO, Shozo FUJIOKA and Yasuo KIMURA
Structure      13C NMR   碳谱模拟图
2 .     sulochrin
C17H16O7     相似度:100%
The Journal of Antibiotics          2002          55          552-556
Fungal Metabolites, Asterric Acid Derivatives Inhibit Vascular Endothelial Growth Factor (VEGF)-induced Tube Formation of HUVECs
HEE JUNG LEE,JEONG HYEONG LEE,BANG YEON HWANG,HANG SUB KIM and JUNG JOON LEE
Structure      13C NMR   碳谱模拟图
3 .     sulochrin
    相似度:100%
The Journal of Antibiotics          1997          50          972-974
Sulochrin Inhibits Eosinophil Degranulation
HIROSHI OHASHI, MASAHARU ISHIKAWA, JUNKO ITO, AKIHIRO UENO, GERALD J. GLEICH, HIROHITO KITA, HIROYUKI KAWAI, HIROMI FUKAMACHI
Structure      13C NMR   碳谱模拟图
4 .     methyl 2-(2-formyl-3-hydroxy-5-methylphenoxy)-5-hydroxy-3-methoxybenzoate
C17H16O7     相似度:88.2%
Natural Product Research          2012          26          1224-1228
A new diphenyl ether from Phoma sp. strain, SHZK-2
M.J. Fang, H. Fang, W.J. Li, D.M. Huang, Z. Wu & Y.F. Zhao
Structure      13C NMR   碳谱模拟图
5 .     Hydroxysulochrin
C17H16O8     相似度:80%
Bioscience, Biotechnology, and Biochemistry          2003          67          442-444
Hydroxysulochrin, a Tea Pollen Growth Inhibitor from the Fungus Aureobasidium sp.
Atsumi SHIMADA, Chisako SHIOKAWA, Miyako KUSANO, Shozo FUJIOKA and Yasuo KIMURA
Structure      13C NMR   碳谱模拟图
6 .     2-(2,6-dihydroxy-4-methoxybenzoyl)-3,5-dimethoxybenzoic acid
    相似度:68.7%
Helvetica Chimica Acta          2013          96          458-462
Two New Secoanthraquinone Derivatives from the Marine-Derived Endophytic Fungus Aspergillus wentii EN-48
Hao-Fen Sun, Xiao-Ming Li, Ling-Hong Meng, Chuan-Ming Cui, Shu-Shan Gao, Chun-Shun Li and Bin-Gui Wang
Structure      13C NMR   碳谱模拟图
7 .     methyl 9-(4-methoxyphenyl)-6-oxo-3,4-dihydro-2H,6H-pyrido[2,1-b]-1,3-oxazine-7-carboxylate
C17H17NO5     相似度:60%
Journal of Heterocyclic Chemistry          2011          48          577-581
Reaction of cyclic imidates with ,β-unsaturated esters: Synthesis of new pyrrolo[2,1-b]-1,3-oxazine and pyrido[2,1-b]-1,3-oxazine derivatives
Shogo Ihara, Takashi Soma, Daigo Yano, Shunichi Aikawa and Yasuhiko Yoshida
Structure      13C NMR   碳谱模拟图
8 .     methyl asterric acid
C18H8O8     相似度:55.5%
The Journal of Antibiotics          2002          55          552-556
Fungal Metabolites, Asterric Acid Derivatives Inhibit Vascular Endothelial Growth Factor (VEGF)-induced Tube Formation of HUVECs
HEE JUNG LEE,JEONG HYEONG LEE,BANG YE
我有一个梦想,我想当校长
2楼2013-06-18 15:47:31
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wangwang1989

至尊木虫 (职业作家)

【答案】应助回帖

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(,)分隔例如:
21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2

溶剂选项:
匹配容差: (数字格式,可自行设定)
相似度:   %(相似度>=50%)



查询结果:共查到26个化合物(查询结果仅供参考)
1 .     6-benzyl-5,6,6a,8,9,10,10a,11-octahydro-pyrrolo[1',2':3,4]imidazo[1,2-a]quinazoline-5,11-dione
C20H19N3O2     相似度:57.1%
Tetrahedron          2012          68          3098-3102
Synthesis of condensed tetrahydroimidazo[1,2-a]quinazoline-1,5-dione derivatives
Rustam T. Iminov, Anton V. Tverdokhlebov, Andrey A. Tolmachev, Yulian M. Volovenko, Svetlana V. Shishkina, Oleg. V. Shishkin
Structure      13C NMR   碳谱模拟图
2 .     N-(6-{[(4-acetylanilino)carbonyl]amino}-2-methylquinolin-4-yl)-2-(4-methylpiperazin-1-yl)acetamide
C26H30N6O3     相似度:54.5%
Bioorganic & Medicinal Chemistry          2009          17          203-221
Search for new pharmacophores for antimalarial activity. Part I: Synthesis and antimalarial activity of new 2-methyl-6-ureido-4-quinolinamides
S. Madapa, Z. Tusi, D. Sridhar, A. Kumar, M.I. Siddiqi, K. Srivastava, A. Rizvi, R. Tripathi, S.K. Puri, G.B. Shiva Keshava, P.K. Shukla, S. Batra
Structure      13C NMR   碳谱模拟图
3 .     acetoxyschinifolin
    相似度:54.5%
Chinese Jouranl of Magnetic Resonance          1992          9          413-417
NMR STUDY OF TWO NEW COMPOUNDS FROM THE ROOTS OF ZANTHOXYLUM SCHINIFOLIUM SIEB. ET ZUCC.
Jiang Tianyi, Hong Mefang, Pan Jingxian and Yang Xianbin
Structure      13C NMR   碳谱模拟图
4 .     19-bromoisoeudistomin U
C19H14N3Br     相似度:52.3%
Natural Product Research          1996          9          7-12
New Isoeudistomin Class Dihydro-β-Carbolines from an Undescribed Ascidian of the Genus Eudistoma.
Heonjoong Kang; William Fenical
Structure      13C NMR   碳谱模拟图
5 .     7-(1-isopentyl-1H-pyrazol-5-yl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol
C19H24N4O     相似度:52.3%
Natural Product Research          2006          20          735-741
Natural products as templates for bioactive compound libraries: synthesis of biaryl derivatives of (±)-vasicine
Sergey V. Shevyakov; Olga I. Davydova; Dmitry G. Pershin; Mikhail Krasavin; Dmitry V. Kravchenko; Alex Kiselyov; Sergey E. Tkachenko; Alexandre V. Ivachtchenko
Structure      13C NMR   碳谱模拟图
6 .     buntanine
C20H21NO5     相似度:52.3%
Phytochemistry          1988          27          3717-3718
Alkaloids and coumarins of Citrus grandis
Tian-Shung Wu
Structure      13C NMR   碳谱模拟图
7 .     2-[N'-(2-oxo-2-dihydroindol-3-ylidene)-hydrazino-3-pheny-lamino-3H-quinazolin-4-one
C22H16N6O2     相似度:52.3%
Journal of Heterocyclic Chemistry          2003          40          973-978
Synthesis and reactions of 3-amino-2-methyl-3H-[1,2,4]triazolo[5,1-b]-quinazolin-9-one and 2-hydrazino-3-phenylamino-3H-quinazolin-4-one
Mohamed A. Saleh,Yehia A. Hafez,Foad E. Abdel-Hay and Wagdy I. Gad
Structure      13C NMR   碳谱模拟图
8 .     compound
    相似度:52.3%
Phytochemistry          1983          22          573-576
Antimicrobial agents from higher plants: Prenylated flavonoids and other phenols from Glycyrrhiza lepidota
Lester A. Mitscher, G.S. Raghav Rao, Ish Khanna, Tarik Veysoglu, Steven Drake
Structure      13C NMR   碳谱模拟图
9 .     2-(O-Acetylbenzyl)-1-[2-(trimethylsilyl)ethoxymethyl]-benzimidazole
C22H28N2O2Si     相似度:52.3%
Bioorganic & Medicinal Chemistry          1994          2          781-786
Antineoplastic activity of benzimidazo[1,2-b]-isoquinolines, indolo[2,3-b]quinolines, and pyridocarbazoles
Ronni L. Weinkauf, Allan Y. Chen, Chiang Yu, Leroy Liu, Louis Barrows, Edmond J. LaVoie
Structure      13C NMR   碳谱模拟图
10 .     6-prenylquercetin-3-methyl ether
    相似度:52.3%
Natural Product Research and Development          2004          16          26-27
STUDIES ON CHEMICAL CONSTITUENTS OF HYPERICUM WIGHTIANUM
TAO Shu-hong; WU Feng-e
Structure      13C NMR   碳谱模拟图
我有一个梦想,我想当校长
3楼2013-06-18 15:49:23
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wangwang1989

至尊木虫 (职业作家)

【答案】应助回帖

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(,)分隔例如:
21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2

溶剂选项:
匹配容差: (数字格式,可自行设定)
相似度:   %(相似度>=50%)



查询结果:共查到217个化合物(查询结果仅供参考)
1 .     Chaetominine
C22H18N4O4     相似度:77.2%
Organic Letters          2006          8          5709-5712
Chaetominine, a Cytotoxic Alkaloid Produced by Endophytic Chaetomium sp. IFB-E015
Rui H. Jiao, Shu Xu,Jun Y. Liu, Hui M. Ge, Hui Ding, Chen Xu, Hai L. Zhu, and Ren X. Tan
Structure      13C NMR   碳谱模拟图
2 .     4-[2-(2-phenyl-4-oxazolyl)ethoxy]phenylmethanol
C18H17NO3     相似度:64.7%
Heterocycles          2001          55          689-704
Synthesis of 2-Phenyloxazole Derivatives Containing Amino Acids as Insulin Sensitivity Enhancers for Treatment of Type II Diabetes
Margaret M. Faul,* Leonard L. Winneroski, Jeremy S. York, Matt R. Reinhard, Richard C. Hoying, William H. Gritton, and Samuel J. Dominianni
Structure      13C NMR   碳谱模拟图
3 .     N-(biphenyl-2-yl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
C18H16FN3O     相似度:64.7%
Tetrahedron          2012          68          2636-2649
Syntheses of 2-(trifluoromethyl)-1,3-dicarbonyl compounds through direct trifluoromethylation with CF3I and their application to fluorinated pyrazoles syntheses
Yuhki Ohtsuka, Daisuke Uraguchi, Kyoko Yamamoto, Kenji Tokuhisa, Tetsu Yamakawa
Structure      13C NMR   碳谱模拟图
4 .     eudistomin Y13
C18H13O2N2Br     相似度:64.7%
Bioorganic & Medicinal Chemistry          2012          20          4082-4087
Beta-carboline alkaloids derived from the ascidian Synoicum sp.
Tae Hyung Won, Ju-eun Jeon, So-Hyoung Lee, Boon Jo Rho, Ki-Bong Oh, Jongheon Shin
Structure      13C NMR   碳谱模拟图
5 .     N,N'-Bis[methyl(4'-acridinyl)]-p-anisidine
C35H27N3O     相似度:63.1%
Molecules          2001          6          673-682
Synthesis of new Bis- and Tetra-Acridines
Valérie Sourdon, Stéphane Mazoyer, Valérie Pique and Jean-Pierre Galy
Structure      13C NMR   碳谱模拟图
6 .     11,12-Dichloro-8,13-dihydro-7H-indolo[2,3 : 3,4]-pyrido[2,1-b]quinazolin-5-one
C18H11Cl2N3O     相似度:61.1%
Zeitschrift für Naturforschung B          2007          62          1313-1316
Cytotoxic Hybrids Between the Aromatic Alkaloids Bauerine C and Rutaecarpine
K. Huber and F. Bracher
Structure      13C NMR   碳谱模拟图
7 .     4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N'-[(1E)-(4-hydroxyphenyl)methylene]benzenesulfonyl hydrazone
C27H21N3O5S     相似度:61.1%
Bioorganic & Medicinal Chemistry          2011          19          6285-6291
Evaluation of apoptotic effect of cyclic imide derivatives on murine B16F10 melanoma cells
Karina Elisa Machado, Kely Navakoski de Oliveira, Lorena Santos-Bubniak, Marley Aparecida Licínio, Ricardo José Nunes, Maria Cláudia Santos-Silva
Structure      13C NMR   碳谱模拟图
8 .     N-{(Z/E)-1-{[(4-Fluorophenyl)amino]carbonyl}-2-[4-(dimethylamino) phenyl] vinyl} benzamide
C24H22FN3O2     相似度:58.8%
Archiv der Pharmazie          2011          11          292-300
Aminocarbonyl Arylvinylbenzamides as Gastric Sparing Anti-inflammatory Agents
Saurabh C. Khadse, Gokul S. Talele, and Surendra S. Agrawal
Structure      13C NMR   碳谱模拟图
9 .     3-methyl-1,4-diphenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]-pyrimidine-5,7(6H,8H)-dione
C21H15N5O2     相似度:58.8%
Journal of Heterocyclic Chemistry          2008          45          1305-1310
Pot,atom and step economic synthesis of fused three heterocyclic ring compounds under microwave irradiation in water
Feng Shi,Dianxiang Zhou,Shujiang Tu,Chunmei Li,Longji Cao and Qingqing Shao
Structure      13C NMR   碳谱模拟图
10 .     9b-hydroxy-5-methyl-3a-phenyl-3,3a,5,9b-tetrahydro-1H-imi-dazo[4,5-c]quinoline-2,4-dione
C17H15N3O3     相似度:58.8%
Journal of Heterocyclic Chemistry          2006          43          1251-1260
Molecular rearrangement of 1-substituted 3-aminoquinoline-2,4-diones in their reaction with urea and nitrourea synthesis and transformations of reaction intermediates
Antonín Klásek,Michal Kovář,Ignác Hoza,Antonín Lyčka and Michal Holčapek
Structure      13C NMR   碳谱模拟图
11 .     N-(5-benozthiazol-2-yl-2-p-tolyl-2H-[1,2,3]triazol-4-ylacetamide
C18H15N5SO     相似度:58.8%
Heterocycles          2008          75          1623-1630
Arylhydrazononitriles as Building Blocks in Heterocyclic Synthesis: Synthesis of New Benzothiazolyl-1, 2, 3-triazole Amines and-1, 2, 3-triazol-4-yl-1, 3, 4-thiadiazol-5-ylamines
Khadija Omar Badahdah
Structure      13C NMR   碳谱模拟图
我有一个梦想,我想当校长
4楼2013-06-18 15:50:56
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

wangwang1989

至尊木虫 (职业作家)

【答案】应助回帖

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(,)分隔例如:
21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2

溶剂选项:
匹配容差: (数字格式,可自行设定)
相似度:   %(相似度>=50%)



查询结果:共查到6个化合物(查询结果仅供参考)
1 .     neoplaether
    相似度:77.7%
FEMS Microbiology Letters          2006          261          218-223
Neoplaether, a new cytotoxic and antifungal endophyte metabolite from Neoplaconema napellum IFB-E016
Feng W. Wang, Yong H. Ye, Jing R. Chen, Xiao T. Wang, Hai L. Zhu, Yong C. Song and Ren X. Tan
Structure      13C NMR   碳谱模拟图
2 .     methyl asterric acid
C18H8O8     相似度:72.2%
The Journal of Antibiotics          2002          55          552-556
Fungal Metabolites, Asterric Acid Derivatives Inhibit Vascular Endothelial Growth Factor (VEGF)-induced Tube Formation of HUVECs
HEE JUNG LEE,JEONG HYEONG LEE,BANG YEON HWANG,HANG SUB KIM and JUNG JOON LEE
Structure      13C NMR   碳谱模拟图
3 .     3-chloroasterric acid
C18H17ClO8     相似度:61.1%
The Journal of Antibiotics          2002          55          552-556
Fungal Metabolites, Asterric Acid Derivatives Inhibit Vascular Endothelial Growth Factor (VEGF)-induced Tube Formation of HUVECs
HEE JUNG LEE,JEONG HYEONG LEE,BANG YEON HWANG,HANG SUB KIM and JUNG JOON LEE
Structure      13C NMR   碳谱模拟图
4 .     野鸢尾苷
    相似度:53.3%
Chinese Traditional and Herbal Drugs          2004          35          256-257
扁竹兰的化学成分研究
吴靳荣,秦民坚,李蓉
Structure      13C NMR   碳谱模拟图
5 .     6-Methyl-2-(1H)-oxo-4-phenyl-3,4-dihydropyrimidine-5-(4'-methoxyphenyl)carboxamide
C19H19N3O3     相似度:53.3%
Zeitschrift für Naturforschung B          2010          65          485-492
Synthesis of 3,4-Dihydropyrimidin-2(1H)-one-5-carboxamides
M. Soleymani and H. R. Memarian
Structure      13C NMR   碳谱模拟图
6 .     conyzatin
    相似度:50%
Phytochemistry          1985          24          835-848
Chemistry of toxic range plants. Highly oxygenated flavonol methyl ethers from Gutierrezia microcephala
James N. Roitman, Lynn F. James
Structure      13C NMR   碳谱模拟图
我有一个梦想,我想当校长
5楼2013-06-18 15:55:08
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