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乌有之乡~

铜虫 (正式写手)

[求助] 求助一个微谱数据

22.5,100,114.4,121.1,124.4,127.1,127.7,132.0,133.4,133.6,133.9,134.4,134.7,147.3,147.4,149.0,163.1,183.0,188.4

求微谱数据,请大家帮忙,万分感激!!
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Keydream

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2楼2012-07-10 15:32:56
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乌有之乡~

铜虫 (正式写手)

引用回帖:
2楼: Originally posted by Keydream at 2012-07-10 15:32:56

3楼2012-07-10 15:37:05
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Keydream

木虫 (正式写手)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与,应助指数 +1
乌有之乡~: 金币+20, ★★★★★最佳答案, 非常感谢! 2012-07-10 16:12:07
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
22.5,100.0,114.4,121.1,124.4,127.1,127.7,132.0,133.4,133.6,133.9,134.4,134.7,147.3,147.4,149.0,163.1,183.0,188.4  
溶剂选项: 全部 CDCl3 CD3CD2OD CD2Cl2 C5D5N C3D7NO CD3SOCD3 C4D8O (CH3)4Si C4D8O2 CD3COOD C4D8O2 H2O D2O CF3COOD CD3OD ND3 CD3COCD3 C6D6 CD3CN 查询空值  
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204个化合物(查询结果仅供参考)  
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1 .     Pachybasin
    相似度:78.9%
Archives of Pharmacal Research          2012          35          461-468
Tetrahydroanthraquinone and Xanthone Derivatives from the Marine-Derived Fungus Trichoderma aureoviride PSU-F95
Nanthaphong Khamthong,Vatcharin Rukachaisirikul,Kwanruthai Tadpetch,Morakot Kaewpet,Souwalak Phongpaichit,Sita Preedanon,and Jariya Sakayaroj
Structure      13C NMR   碳谱模拟图

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2 .     1-Hydroxy-3-methoxyanthraquinone
    相似度:63.1%
Archives of Pharmacal Research          2012          35          461-468
Tetrahydroanthraquinone and Xanthone Derivatives from the Marine-Derived Fungus Trichoderma aureoviride PSU-F95
Nanthaphong Khamthong,Vatcharin Rukachaisirikul,Kwanruthai Tadpetch,Morakot Kaewpet,Souwalak Phongpaichit,Sita Preedanon,and Jariya Sakayaroj
Structure      13C NMR   碳谱模拟图

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3 .     2-ethyl-1(3)H-anthra[1,2-d]imidazole-6,11-dione
C17H12N2O2     相似度:63.1%
Bioorganic & Medicinal Chemistry          2009          17          7418-7428
Synthesis, cytotoxicity and human telomerase inhibition activities of a series of 1,2-heteroannelated anthraquinones and anthra[1,2-d]imidazole-6,11-dione homologues
Hsu-Shan Huang, Tsung-Chih Chen, Ruei-Huei Chen, Kuo-Feng Huang, Fong-Chun Huang, Jing-Ru Jhan, Chun-Liang Chen, Chia-Chung Lee, Yang Lo, Jing-Jer Lin
Structure      13C NMR   碳谱模拟图

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4 .     2-butyl-1(3)H-anthra[1,2-d]imidazole-6,11-dione
    相似度:63.1%
Bioorganic & Medicinal Chemistry          2009          17          7418-7428
Synthesis, cytotoxicity and human telomerase inhibition activities of a series of 1,2-heteroannelated anthraquinones and anthra[1,2-d]imidazole-6,11-dione homologues
Hsu-Shan Huang, Tsung-Chih Chen, Ruei-Huei Chen, Kuo-Feng Huang, Fong-Chun Huang, Jing-Ru Jhan, Chun-Liang Chen, Chia-Chung Lee, Yang Lo, Jing-Jer Lin
Structure      13C NMR   碳谱模拟图

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5 .     (E)-2-(but-1-enyl)-1(3)H-anthra[1,2-d]imidazole-6,11-dione
    相似度:63.1%
Bioorganic & Medicinal Chemistry          2009          17          7418-7428
Synthesis, cytotoxicity and human telomerase inhibition activities of a series of 1,2-heteroannelated anthraquinones and anthra[1,2-d]imidazole-6,11-dione homologues
Hsu-Shan Huang, Tsung-Chih Chen, Ruei-Huei Chen, Kuo-Feng Huang, Fong-Chun Huang, Jing-Ru Jhan, Chun-Liang Chen, Chia-Chung Lee, Yang Lo, Jing-Jer Lin
Structure      13C NMR   碳谱模拟图

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6 .     ethyl 4-chloro-11-hydroxy-2-methyl-5,10-dioxo-5,10-dihydroanthra[2,3-b]furan-3-carboxylate
C20H13ClO6     相似度:63.1%
Russian Journal of Organic Chemistry          2008          44          855-862
Synthesis and photochemical properties of phenoxy derivatives of anthra[2,3- b ]furan-5,10-dione
A. E. Shchekotikhin, E. K. Shevtsova, Yu. N. Luzikov, V. A. Barachevskii and V. F. Traven’
Structure      13C NMR   碳谱模拟图

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7 .     M-13-1
C21H16O5     相似度:61.9%
The Journal of Antibiotics          1994          47          976-981
THREE NEW REDUCED ANTHRACYCLINE RELATED COMPOUNDS FROM PATHOGENIC Nocardia brasiliensis
AKIO MAEDA, HIROSHI NAGAI, KATSUKIYO YAZAWA, YASUSHI TANAKA, TAMAE IMAI, YUZURU MIKAMI, TADAO KURAMOCHI, CHIJI YAMAZAKI
Structure      13C NMR   碳谱模拟图

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8 .     Anthrasesamone E
C20H18O4     相似度:60%
Bioscience, Biotechnology, and Biochemistry          2006          70          1784-1785
Anthrasesamones D and E from Sesamum indicum Roots
Toshio FURUMOTO, Akira TAKEUCHI and Hiroshi FUKUI
Structure      13C NMR   碳谱模拟图

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9 .     compound 14
C22H16O4     相似度:60%
Chemistry-A European Journal          2007          13          9939-9947
Total Synthesis of the Proposed Structure of the Anthrapyran Metabolite δ-Indomycinone
Lutz F. Tietze, Ramakrishna Reddy Singidi and Kersten M. Gericke
Structure      13C NMR   碳谱模拟图

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10 .     6-(1-methylethyl)-2,3-bis(benzoyl)[1,4]benzoxathiin
C25H20O3S     相似度:59.0%
Heterocycles          2002          56          471-478
[4+2] Cycloadditions of o-Thioquinones with Alkynes and Arylalkenes: a Facile Synthesis of Benzoxathiins
Vijay Nair* and Bini Mathew
Structure      13C NMR   碳谱模拟图

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11 .     1-hydroxy-2-methyl-9,10-anthraquinone
    相似度:57.8%
Chemistry & Biodiversity          2009          6          182-192
Anthraquinones from Natural and Transformed Roots of Plocama pendula
Braulio M. Fraga, Nayra Quintana, and Carmen E. Díaz
Structure      13C NMR   碳谱模拟图

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12 .     anthraquinones chrysophanol
C15H10O4     相似度:57.8%
Acta Botanica Sinica          2003          45          1003-1007
Two New Triterpenes from Neonauclea sessilifolia
KANG Wen-Yi, LI Guo-Hong, HAO Xiao-Jiang
Structure      13C NMR   碳谱模拟图

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13 .     5-Benzylidene-3-phenyl-2-(phenylimino)thiazolidin-4-one
C22H16N2OS     相似度:57.8%
Molecules          2006          11          597-602
One-Pot Synthesis of 5-Arylidene-2-Imino-4-Thiazolidinones under Microwave Irradiation
Souad Kasmi-Mir, Ayada Djafri, Ludovic Paquin, Jack Hamelin and Mustapha Rahmouni
Structure      13C NMR   碳谱模拟图

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14 .     4-Methyl-N-(2,4-dimethylphenyl)-6-(pyridin-3-yl)pyrimidin-2-amine
C18H18N4     相似度:57.8%
Molecules          2008          13          818-830
Synthesis of New N-Arylpyrimidin-2-amine Derivatives Using a Palladium Catalyst
Ibrahim M. El-Deeb, Jae C. Ryu and So H. Lee
Structure      13C NMR   碳谱模拟图

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15 .     2,4-Dibromo-1-(4-methylphenyl)anthraquinone
C21H12O2(81)Br(79)Br     相似度:57.8%
Molecules          2009          14          1013-1031
Brominated Thiophenes as Precursors in the Preparation of Brominated and Arylated Anthraquinones
Thies Thiemann, Yasuko Tanaka and Jesus Iniesta
Structure      13C NMR   碳谱模拟图

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16 .     1-hydroxy-2-methylanthraquinone
C15H10O3     相似度:57.8%
Acta Pharmaceutica Sinica          1992          27          358-364
ANTHRAQUINONES ISOLATED FROM MORINDA OFFICINALIS AND DAMNACANTHUS INDICUS
YJ Yang; HY Shu; ZD Min
Structure      13C NMR   碳谱模拟图

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17 .     1-hydroxyanthraquinone
    相似度:57.8%
Natural Product Sciences          2002          8          48-51
Antioxidant Activity of Anthraquinones from Morinda elliptica
Ismail, Nor Hadiani; Mohamad, Habsah; Mohidin, Amran; Lajis, Nordin Hj.
Structure      13C NMR   碳谱模拟图

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18 .     1-methoxy-3-methylanthraquinone
C16H12O3     相似度:57.8%
Chemical & Pharmaceutical Bulletin          2010          58          549-551
A New Flavonoid from Selaginella tamariscina (Beauv.) Spring
Jian-Feng Liu, Kang-Ping Xu, Fu-Shuang Li, Jian Shen, Chang-Ping Hu, Hui Zou, Fan Yang, Guo-Ru Liu, Hong-Lin Xiang, Ying-Jun Zhou, Yuan-Jian Li and Gui-Shan Tan
Structure      13C NMR   碳谱模拟图

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19 .     2'-phenyl spiro[dihydroacridinyl-9(10H)-5'-1',2',4'-triazolidine]-3'-thione
C20H16N4S     相似度:57.8%
Journal of Heterocyclic Chemistry          2006          43          633-643
Tautomerism,regioisomerism,and cyclization reactions of acridinyl thiosemicarbazides
Karel D. Klika,Eva Balentová,Kalevi Pihlaja,Juraj Bernát,Ján Imrich,Martina Vavrušová,Erich Kleinpeter and Andreas Koch
Structure      13C NMR   碳谱模拟图

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20 .     (2E)-1-(3'-methoxy-4'-hydroxyphenyl)-3-(2-naphthyl)-2-propen-1-one
C20H16O3     相似度:57.8%
Bioorganic & Medicinal Chemistry Letters          2008          18          6227-6230
Synthetic chalcones as efficient inhibitors of Mycobacterium tuberculosis protein tyrosine phosphatase PtpA
Louise Domeneghini Chiaradia, Alessandra Mascarello, Marcela Purificação, Javier Vernal, Marlon Norberto Sechini Cordeiro, María Emilia Zenteno, Andréa Villarino, Ricardo José Nunes, Rosendo Augusto Yunes, Hernán Terenzi
Structure      13C NMR   碳谱模拟图

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21 .     N-((1H-imidazol-4-yl)methyl)-2-(1-(3-chlorophenyl)-1H-1,2,3-triazol-4-yl)benzenamine
C18H15ClN6     相似度:57.8%
Bioorganic & Medicinal Chemistry Letters          2009          19          1344-1348
(1,2,3-Triazol-4-yl)benzenamines: Synthesis and activity against VEGF receptors 1 and 2
Alexander S. Kiselyov, Marina Semenova, Victor V. Semenov
Structure      13C NMR   碳谱模拟图

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22 .     Cordifoliol
    相似度:57.8%
Pharmazie          2003          58          216-217
Two new anthraquinones from the roots of Rubia cordifolia Linn.
S. T. Abdullah - A. Ali - H. Hamid - M. Ali - S. H. Ansari - M. S. Alam
Structure      13C NMR   碳谱模拟图

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23 .     1-hydroxy-2-hydroxymethy-3-methoxyanthraquinine
    相似度:57.8%
Journal of Shenyang Pharmaceutical University          2009          26          904-906
Chemical constituents from whole plant of Galiun verum L.
ZHAO Chun-chao, SHAO Jian-hua, ZHANG Yu-wei, CAO Dan-dan, LI Xian
Structure      13C NMR   碳谱模拟图

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24 .     compound 5c
    相似度:57.8%
Heterocycles          2011          83          1291-1302
Xanthones in Heterocyclic Synthesis. An Efficient and General Route for the Synthesis of Regioselectively Substituted Phthalazines
Yiannis Gardikis, Petros G. Tsoungas,* Constantinos Potamitis, George Pairas, Maria Zervou, and Paul Cordopatis*
Structure      13C NMR   碳谱模拟图

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25 .     o-[N-(2-thiothenoyl)amino]benzyl 2-thiophencarboxylate
C17H13NO2S3     相似度:57.8%
Heterocycles          2002          58          203-212
Sulfur-containing Heterocycles Derived by Reaction of N-Thioacylamino Alcohols with Lawesson's Reagent and Saponification of N-Thioacylamino Esters
Takehiko Nishio* and Hiroshi Sekiguchi
Structure      13C NMR   碳谱模拟图

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26 .     3-(trifluoromethyl)-N-(4-methyl-6-(pyridin-3-yl)pyrimi-din-2-yl)benzamide
C18H18N4     相似度:57.8%
Bioorganic & Medicinal Chemistry          2010          18          3860-3874
Design and synthesis of new anticancer pyrimidines with multiple-kinase inhibitory effect
Ibrahim Mustafa El-Deeb, So Ha Lee
Structure      13C NMR   碳谱模拟图

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27 .     Kwanzoquinone A
C18H14O4     相似度:57.8%
Tetrahedron          2002          58          8597-8606
Kwanzoquinones A–G and other constituents of Hemerocallis fulva ‘Kwanzo’ roots and their activity against the human pathogenic trematode Schistosoma mansoni
Robert H Cichewicz, Kee-Chong Lim, James H McKerrow, Muraleedharan G Nair
Structure      13C NMR   碳谱模拟图

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28 .     kwanzoquinone A
C18H14O4     相似度:57.8%
Tetrahedron          2002          58          8597-8606
Kwanzoquinones A–G and other constituents of Hemerocallis fulva ‘Kwanzo’ roots and their activity against the human pathogenic trematode Schistosoma mansoni
Robert H Cichewicz, Kee-Chong Lim, James H McKerrow, Muraleedharan G Nair
Structure      13C NMR   碳谱模拟图

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29 .     2-isopropyl-1(3)H-anthra[1,2-d]imidazole-6,11-dione
    相似度:57.8%
Bioorganic & Medicinal Chemistry          2009          17          7418-7428
Synthesis, cytotoxicity and human telomerase inhibition activities of a series of 1,2-heteroannelated anthraquinones and anthra[1,2-d]imidazole-6,11-dione homologues
Hsu-Shan Huang, Tsung-Chih Chen, Ruei-Huei Chen, Kuo-Feng Huang, Fong-Chun Huang, Jing-Ru Jhan, Chun-Liang Chen, Chia-Chung Lee, Yang Lo, Jing-Jer Lin
Structure      13C NMR   碳谱模拟图

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30 .     2-sec-butyl-1(3)H-anthra[1,2-d]imidazole-6,11-dione
    相似度:57.8%
Bioorganic & Medicinal Chemistry          2009          17          7418-7428
Synthesis, cytotoxicity and human telomerase inhibition activities of a series of 1,2-heteroannelated anthraquinones and anthra[1,2-d]imidazole-6,11-dione homologues
Hsu-Shan Huang, Tsung-Chih Chen, Ruei-Huei Chen, Kuo-Feng Huang, Fong-Chun Huang, Jing-Ru Jhan, Chun-Liang Chen, Chia-Chung Lee, Yang Lo, Jing-Jer Lin
Structure      13C NMR   碳谱模拟图

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31 .     2-phenyl-1(3)H-anthra[1,2-d]imidazole-6,11-dione
    相似度:57.8%
Bioorganic & Medicinal Chemistry          2009          17          7418-7428
Synthesis, cytotoxicity and human telomerase inhibition activities of a series of 1,2-heteroannelated anthraquinones and anthra[1,2-d]imidazole-6,11-dione homologues
Hsu-Shan Huang, Tsung-Chih Chen, Ruei-Huei Chen, Kuo-Feng Huang, Fong-Chun Huang, Jing-Ru Jhan, Chun-Liang Chen, Chia-Chung Lee, Yang Lo, Jing-Jer Lin
Structure      13C NMR   碳谱模拟图

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32 .     9-chloro-3-methyl-2-phenylbenzo[h][1,6]naphthyridine
C19H13ClN2     相似度:57.8%
Journal of Heterocyclic Chemistry          2011          48          301-307
Synthesis of benzo[3,4-h][1,6]naphthyridines via Friedlnder condensation with active methylenes
Ramhari V. Rote, Sandeep M. Bagul, Deepak P. Shelar, Sandeep R. Patil, Raghunath B. Toche and Madhukar N. Jachak
Structure      13C NMR   碳谱模拟图

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33 .     11-methyl-6H-isoindolo[2,1-a]indol-6-one
C16H11NO     相似度:57.8%
Tetrahedron          2012          68          3112-3116
Synthesis of 6H-isoindolo[2,1-a]indol-6-ones through a sequential copper-catalyzed C-N coupling and palladium-catalyzed C–H activation reaction
Hua-Feng He, Sheng Dong, Yi Chen, Yang Yang, Yueqin Le, Weiliang Bao
Structure      13C NMR   碳谱模拟图

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34 .     haminol-A
C17H23NO     相似度:57.8%
Experientia          1991          47          61-63
Alarm pheromones from the Mediterranean opisthobranchHaminoea navicula
G. Cimino, A. Passeggio, G. Sodano, A. Spinella and G. Villani
Structure      13C NMR   碳谱模拟图

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35 .     2-(4-Methoxyphenyl)-3-phenylanthraquinone
C27H18O3     相似度:57.1%
Canadian Journal of Chemistry          2006          84          659-666
From enolates to anthraquinones1
David Bailey, Jeffrey N. Murphy, and Vance E. Williams
Structure      13C NMR   碳谱模拟图

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36 .     3-hydroxy-1-(3,4-dimethoxyphenyl)-9,10-anthraquinone
C22H16O5     相似度:57.1%
Russian Journal of Organic Chemistry          2003          39          1436-1450
Synthesis of 5-Aryl-1,4-naphthoquinone and 1-Aryl-9,10-anthraquinone Derivatives by Cycloaddition of 1-(Dimethoxyphenyl)-3-trimethylsiloxy-1,3-butadienes to 1,4-Benzoquinones and 1,4-Naphthoquinones
I. V. Nechepurenko, E. E. Shul'ts and G. A. Tolstikov
Structure      13C NMR   碳谱模拟图

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37 .     anthrasesamone A
C20H18O3     相似度:55%
Phytochemistry          2003                   863-866
Anthrasesamones from roots of Sesamum indicum
Toshio Furumoto, Mayumi Iwata, A.F.M. Feroj Hasan, Hiroshi Fukui
Structure      13C NMR   碳谱模拟图

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38 .     N,N'-[4,4'-(furan-2,5-diyl)bis(3-methyl-4,1-phenylene)]bis[1-(4-bromophenylsulfonyl)-1H-indole-3-sulfonamide]
C46H34Br2N4O9S4     相似度:55%
Chemical & Pharmaceutical Bulletin          2009          57          591-596
Novel Furanylarylene Arylsulfonylindolesulfonamides: Synthesis and Their Antibacterial Evaluation
Chennan Ramalingan, In-Sook Lee and Young-Woo Kwak
Structure      13C NMR   碳谱模拟图

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39 .     (E)-2-(2-(naphthalen-1-yl)vinyl)quinazolin-4(3H)-one
C20H14N2O     相似度:55%
Journal of Heterocyclic Chemistry          2006          43          1057-1063
Convenient synthesis of some 2-substituted 4(3H)-quinazolinone derivatives
I. Philipova,G. Dobrikov,K. Krumova and J. Kaneti
Structure      13C NMR   碳谱模拟图

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40 .     Anthrasesamone D
C20H18O5     相似度:55%
Bioscience, Biotechnology, and Biochemistry          2006          70          1784-1785
Anthrasesamones D and E from Sesamum indicum Roots
Toshio FURUMOTO, Akira TAKEUCHI and Hiroshi FUKUI
Structure      13C NMR   碳谱模拟图

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41 .     2-[(Z)-4-Methylpenta-1,3-dien-1-yl]anthraquinone
C20H16O2     相似度:55%
Bioscience, Biotechnology, and Biochemistry          2008          72          2788-2790
Isolation and Photoisomerization of a New Anthraquinone from Hairy Root Cultures of Sesamum indicum
Toshio FURUMOTO and Atsushi JINDAI
Structure      13C NMR   碳谱模拟图

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42 .     6-(2-Bromophenylamino)-6a-methyl-6,6a-dihydroisoindolo[2,1-a]-quinazoline-5,11-dione
C22H16N3O2Br     相似度:55%
European Journal of Organic Chemistry          2012                   1790-1799
New Linearly and Angularly Fused Quinazolinones: Synthesis through Gold(I)-Catalyzed Cascade Reactions and Anticancer Activities
Nitin T. Patil, Pediredla G. V. V. Lakshmi, Balasubramanian Sridhar, Sujata Patra, Manika Pal Bhadra and Chitta Ranjan Patra
Structure      13C NMR   碳谱模拟图

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43 .     (2R,3aR)-2-(4-Isobutylphenyl)-2,3a-dimethyl-4-(phenylamino)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinazoline-1,5-dione
C29H31N3O2     相似度:55%
European Journal of Organic Chemistry          2012                   1790-1799
New Linearly and Angularly Fused Quinazolinones: Synthesis through Gold(I)-Catalyzed Cascade Reactions and Anticancer Activities
Nitin T. Patil, Pediredla G. V. V. Lakshmi, Balasubramanian Sridhar, Sujata Patra, Manika Pal Bhadra and Chitta Ranjan Patra
Structure      13C NMR   碳谱模拟图

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44 .     2-p-tolyl-1H-anthra[1,2-d]imidazole-6,11-dione
    相似度:55%
Bioorganic & Medicinal Chemistry          2009          17          7418-7428
Synthesis, cytotoxicity and human telomerase inhibition activities of a series of 1,2-heteroannelated anthraquinones and anthra[1,2-d]imidazole-6,11-dione homologues
Hsu-Shan Huang, Tsung-Chih Chen, Ruei-Huei Chen, Kuo-Feng Huang, Fong-Chun Huang, Jing-Ru Jhan, Chun-Liang Chen, Chia-Chung Lee, Yang Lo, Jing-Jer Lin
Structure      13C NMR   碳谱模拟图

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45 .     2-(4-cyanophenyl)-1H-anthra[1,2-d]imidazole-6,11-dione
    相似度:55%
Bioorganic & Medicinal Chemistry          2009          17          7418-7428
Synthesis, cytotoxicity and human telomerase inhibition activities of a series of 1,2-heteroannelated anthraquinones and anthra[1,2-d]imidazole-6,11-dione homologues
Hsu-Shan Huang, Tsung-Chih Chen, Ruei-Huei Chen, Kuo-Feng Huang, Fong-Chun Huang, Jing-Ru Jhan, Chun-Liang Chen, Chia-Chung Lee, Yang Lo, Jing-Jer Lin
Structure      13C NMR   碳谱模拟图
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