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paopaoxiaozhu

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[求助] 求助微谱数据

63.40,72.76,75.87,88.17,91.23,121.86,140.92,153.66,158.04
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jasminelw

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【答案】应助回帖


感谢参与,应助指数 +1
paopaoxiaozhu: 金币+1, 有帮助, 你是不是输出错了?我的是9个碳原子,你给的都是20个碳以上的化合物。相似度怎么可能有90%上的呢? 2013-03-21 19:06:08
1 .     sclerotioramine
C21H24ClNO4     相似度:95.2%
Journal of Natural Products          2010          73          942-948
Chemical Epigenetics Alters the Secondary Metabolite Composition of Guttate Excreted by an Atlantic-Forest-Soil-Derived Penicillium citreonigrum
Xiaoru Wang, José G. Sena Filho, Ashley R. Hoover, Jarrod B. King, Trevor K. Ellis, Douglas R. Powell and Robert H. Cichewicz
Structure      13C NMR   碳谱模拟图

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

2 .     3-N-methylsclerotiorinamine
C22H26NO4Cl     相似度:86.3%
Journal of Natural Products          2000          63          1303-1305
8-O-Methylsclerotiorinamine, Antagonist of the Grb2-SH2 Domain, Isolated from Penicillium multicolor
Ji-Youn Nam,Hyae-Kyeong Kim,Ju-Young Kwon,Mi Young Han,Kwang-Hee Son,Un Chul Lee, Jung-Do Choi, and Byoung-Mog Kwon
Structure      13C NMR   碳谱模拟图

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

3 .     isochromophilone VI
C23H28NO5Cl     相似度:82.6%
The Journal of Antibiotics          1995          48          696-702
Isochromophilones III - VI, Inhibitors of Acyl-CoA: Cholesterol Acyltransferase Produced by Penicillium multicolor FO-3216
NORIKO ARAI, KAZURO SHIOMI, HIROSHI TOMODA, NORIKO TABATA, DA JUN YANG, ROKURO MASUMA, TOMOYA KAWAKUBO, SATOSHI OMURA
Structure      13C NMR   碳谱模拟图

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4 .     isochromophilone VI
C25H30NO6Cl     相似度:82.6%
Australian Journal of Chemistry          2003          56          13-15
Isochromophilone IX, a Novel GABA-Containing Metabolite Isolated from a Cultured Fungus, Penicillium sp.
Adam P. Michael, Emily J. Grace, Mike Kotiw and Russell A. Barrow
Structure      13C NMR   碳谱模拟图

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

5 .     7-epi-sclerotiorin
    相似度:76.1%
Chemical & Pharmaceutical Bulletin          1995          43          1307-1310
Four New Chlorinated Azaphilones, Helicusins A-D, Closely Related to 7-epi-Sclerotiorin, from an Ascomycetous Fungus, Talaromyces helicus
Eiji YOSHIDA,Haruhiro FUJIMOTO,Miyuki BABA and Mikio YAMAZAKI
Structure      13C NMR   碳谱模拟图

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

6 .     (+)-sclerotiorin
    相似度:76.1%
The Journal of Antibiotics          1995          48          913-923
Azaphilones with Endothelin Receptor Binding Activity Produced by Penicillium sclerotiorum: Taxonomy, Fermentation, Isolation, Structure Elucidation and Biological Activity
L. PAIRET, S. K. WRIGLEY, I. CHETLAND, E. E. REYNOLDS, M. A. HAYES, J. HOLLOWAY, A. M. AINSWORTH, W. KATZER, X-M. CHENG, D. J. HUPE, P. CHARLTON, A. M. DOHERTY
Structure      13C NMR   碳谱模拟图

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

7 .     isochromophilone VIII
C21H27O5Cl     相似度:76.1%
The Journal of Antibiotics          1996          49          223-229
New Isochromophilones VII and VIII Produced by Penidllium sp. FO-4164
DA-JUN YANG, HIROSHI TOMODA, NORIKO TABATA, ROKURO MASUMA, SATOSHI OMURA
Structure      13C NMR   碳谱模拟图

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

8 .     compound
C21H23O5Cl     相似度:76.1%
Journal of Agricultural and Food Chemistry          2007          55          2879-2883
Sclerotiorin, a Novel Inhibitor of Lipoxygenase from Penicillium frequentans
C. Chidananda and A. P. Sattur
Structure      13C NMR   碳谱模拟图

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

9 .     isochromophilone IX
    相似度:76%
Australian Journal of Chemistry          2003          56          13-15
Isochromophilone IX, a Novel GABA-Containing Metabolite Isolated from a Cultured Fungus, Penicillium sp.
Adam P. Michael, Emily J. Grace, Mike Kotiw and Russell A. Barrow
Structure      13C NMR   碳谱模拟图

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

10 .     rotiorinol A
C23H26O5     相似度:69.5%
Journal of Natural Products          2006          69          891-895
Antifungal Azaphilones from the Fungus Chaetomium cupreum CC3003
Somdej Kanokmedhakul, Kwanjai Kanokmedhakul, Pitak Nasomjai, Sysavad Louangsysouphanh,Kasem Soytong, Minoru Isobe, Palangpon Kongsaeree, Samran Prabpai, and Apichart Suksamrarn
Structure      13C NMR   碳谱模拟图

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

11 .     8-O-methylsclerotiorinamine
C22H26NO4Cl     相似度:68.1%
Journal of Natural Products          2000          63          1303-1305
8-O-Methylsclerotiorinamine, Antagonist of the Grb2-SH2 Domain, Isolated from Penicillium multicolor
Ji-Youn Nam,Hyae-Kyeong Kim,Ju-Young Kwon,Mi Young Han,Kwang-Hee Son,Un Chul Lee, Jung-Do Choi, and Byoung-Mog Kwon
Structure      13C NMR   碳谱模拟图

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

12 .     Comazaphilone F
C22H26O8     相似度:68.1%
Journal of Natural Products          2011          74          256-261
Comazaphilones A−F, Azaphilone Derivatives from the Marine Sediment-Derived Fungus Penicillium commune QSD-17
Shu-Shan Gao, Xiao-Ming Li, Yi Zhang, Chun-Shun Li, Chuan-Ming Cui, and Bin-Gui Wang
Structure      13C NMR   碳谱模拟图

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

13 .     rotiorinol A acetate derivative
C25H28O6     相似度:68%
Journal of Natural Products          2006          69          891-895
Antifungal Azaphilones from the Fungus Chaetomium cupreum CC3003
Somdej Kanokmedhakul, Kwanjai Kanokmedhakul, Pitak Nasomjai, Sysavad Louangsysouphanh,Kasem Soytong, Minoru Isobe, Palangpon Kongsaeree, Samran Prabpai, and Apichart Suksamrarn
Structure      13C NMR   碳谱模拟图

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

14 .     3,3a-dibutyl-5-phenyl-3,3a-dihydro-5H-imidazo[4,5-c]quino-line-2,4-dione
C24H27N3O2     相似度:66.6%
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

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15 .     2-butyl-7-butyryloxy-5-chloro-3-(3-hydroxypropyl)-7-methyl-2H,7H-isoquinoline-6,8-dione
C21H28ClNO5     相似度:66.6%
Journal of the American Chemical Society          2007          129          9860-9861
Total Synthesis, Stereochemical Reassignment, and Absolute Configuration of Chlorofusin
Sang Yeul Lee, Ryan C. Clark, and Dale L. Boger
Structure      13C NMR   碳谱模拟图

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

16 .     helicusin A methyl ester
C26H29ClO7     相似度:65.3%
Chemical & Pharmaceutical Bulletin          1995          43          1307-1310
Four New Chlorinated Azaphilones, Helicusins A-D, Closely Related to 7-epi-Sclerotiorin, from an Ascomycetous Fungus, Talaromyces helicus
Eiji YOSHIDA,Haruhiro FUJIMOTO,Miyuki BABA and Mikio YAMAZAKI
Structure      13C NMR   碳谱模拟图

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

17 .     (-)-rotiorin
C23H24O5     相似度:65.2%
Journal of Natural Products          2006          69          891-895
Antifungal Azaphilones from the Fungus Chaetomium cupreum CC3003
Somdej Kanokmedhakul, Kwanjai Kanokmedhakul, Pitak Nasomjai, Sysavad Louangsysouphanh,Kasem Soytong, Minoru Isobe, Palangpon Kongsaeree, Samran Prabpai, and Apichart Suksamrarn
Structure      13C NMR   碳谱模拟图

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

18 .     Chaetomugilin O
C23H25ClO5     相似度:65.2%
Tetrahedron          2009          65          7580-7586
Chaetomugilins I–O, new potent cytotoxic metabolites from a marine-fish-derived Chaetomium species. Stereochemistry and biological activities
Yasuhide Muroga, Takeshi Yamada, Atsushi Numata, Reiko Tanaka
Structure      13C NMR   碳谱模拟图

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19 .     chaetomugilin F
C23H25ClO5     相似度:65.2%
The Journal of Antibiotics          2008          61          615-622
Chaetomugilins, New Selectively Cytotoxic Metabolites, Produced by a Marine Fish-derived Chaetomium Species
Muroga Yasuhide, Takeshi Yamada, Atsushi Numata and Reiko Tanaka
Structure      13C NMR   碳谱模拟图

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20 .     Chaetoviridin G
C23H25ClO5     相似度:65.2%
Journal of Natural Products          2011          74          1182-1187
Azaphilones from the Endophyte Chaetomium globosum
Warley S. Borges, Gabriela Mancilla, Denise O. Guimarães, Rosa Durán-Patrón, Isidro G. Collado, and Mnica T. Pupo
Structure      13C NMR   碳谱模拟图

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21 .     helicusin D
C25H27ClO7     相似度:64%
Chemical & Pharmaceutical Bulletin          1995          43          1307-1310
Four New Chlorinated Azaphilones, Helicusins A-D, Closely Related to 7-epi-Sclerotiorin, from an Ascomycetous Fungus, Talaromyces helicus
Eiji YOSHIDA,Haruhiro FUJIMOTO,Miyuki BABA and Mikio YAMAZAKI
Structure      13C NMR   碳谱模拟图

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

22 .     Compound 11
    相似度:63.6%
Magnetic Resonance in Chemistry          2004          42          648-658
You have full text access to this contentStructural assignment of regioisomeric 3-[2-or 5-anilino-2-(alkylamino)phenyl]propanoic acids, 2H-1, 4-benzothiazin-3(4H)-ones and 2, 3-dihydro-1, 5-benzothiazepin-4(5H)-ones by 1D NOE and gHMBC NMR techniques
Alan R. Katritzky, Novruz G. Akhmedov, Mingyi Wang, Charles J. Rostek and Peter J. Steel
Structure      13C NMR   碳谱模拟图

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

23 .     Comazaphilone B
C22H26O8     相似度:63.6%
Journal of Natural Products          2011          74          256-261
Comazaphilones A−F, Azaphilone Derivatives from the Marine Sediment-Derived Fungus Penicillium commune QSD-17
Shu-Shan Gao, Xiao-Ming Li, Yi Zhang, Chun-Shun Li, Chuan-Ming Cui, and Bin-Gui Wang
Structure      13C NMR   碳谱模拟图

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

24 .     bharangin
    相似度:61.9%
Bioorganic & Medicinal Chemistry Letters          2011          21          4581-4584
Cytotoxic diterpenoid quinonemethides from the roots of Pygmacopremna herbacea
K. Satish, M. V. P. S. Vishnuvardhan, V. Lakshma Nayak, G. Srihari, M. Subrahamanyam, T. Prabhakar Rao, S. Ramakrishna, K. Ravikumar, B. Sridhar, M. Marthanda Murthy
Structure      13C NMR   碳谱模拟图

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

25 .     ethyl 4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
C22H27NO5     相似度:61.9%
Journal of Heterocyclic Chemistry          2010          47          194-198
Glycine-catalyzed easy and efficient one-pot synthesis of polyhydroquinolines through Hantzsch multicomponent condensation under controlled microwave
Satish Kumar Singh and Krishna Nand Singh
Structure      13C NMR   碳谱模拟图

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

26 .     compound (S)8-FBS
C22H25F2N2O2     相似度:61.9%
Tetrahedron Letters          2005          46          2623-2626
Self-assembly of chiral mesoionic heterocycles into smectic phases: a new class of polar liquid crystal
C.V. Yelamaggad, Manoj Mathews, Uma S. Hiremath, D.S. Shankar Rao, S. Krishna Prasad
Structure      13C NMR   碳谱模拟图

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

27 .     isochromophilone IV
C21H27O5Cl     相似度:61.9%
The Journal of Antibiotics          1995          48          696-702
Isochromophilones III - VI, Inhibitors of Acyl-CoA: Cholesterol Acyltransferase Produced by Penicillium multicolor FO-3216
NORIKO ARAI, KAZURO SHIOMI, HIROSHI TOMODA, NORIKO TABATA, DA JUN YANG, ROKURO MASUMA, TOMOYA KAWAKUBO, SATOSHI OMURA
Structure      13C NMR   碳谱模拟图

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

28 .     carbazoquinocin D
C21H25NO2     相似度:61.9%
The Journal of Antibiotics          1995          48          326-328
Isolation and Structural Elucidation of Antioxidative Substances, Carbazoquinocins A to F
MASAHIRO TANAKA, KAZUO SHIN-YA, KAZUO FURIHATA, HARUO SETO
Structure      13C NMR   碳谱模拟图

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

29 .     pre-kinamycin diacetate
    相似度:61.9%
The Journal of Antibiotics          1989          42          189-197
NEW PRODUCTS RELATED TO KINAMYCIN FROM STREPTOMYCES MURAYAMAENSIS II. STRUCTURES OF PRE-KINAMYCIN, KETO-ANHYDROKINAMYCIN, AND KINAMYCINS E AND F
PAMELA J. SEATON, STEVEN J. GOULD
Structure      13C NMR   碳谱模拟图

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30 .     JBIR-120
C18H18N2O3     相似度:61.9%
The Journal of Antibiotics          2012          65          373-375
JBIR-120: a new growth inhibitor of hormone-refractory prostate cancer cells
Teppei Kawahara, Takahiro Hosoya, Masao Tsukamoto, Sachiko Okabe, Hideki Yamamura, Masayuki Hayakawa, Hiroyuki Seimiya, Motoki Takagi and Kazuo Shin-ya
Structure      13C NMR   碳谱模拟图

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31 .     3-Butyl-1,2,3,4-tetrahydro-1-methyl-2,4-dioxoquinolin-3-yl Butylcarbamate
C19H26N2O4     相似度:61.9%
Helvetica Chimica Acta          2011          94          78-91
Reaction of 3-Hydroxyquinoline-2, 4-diones with Isocyanates and Thermally Induced Transformation of the Reaction Products
Vladimír Mrkvička, Antonín Lyčka, Robert Vícha and Antonín Klásek
Structure      13C NMR   碳谱模拟图

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

32 .     rotiorinol B
C23H26O6     相似度:60.8%
Journal of Natural Products          2006          69          891-895
Antifungal Azaphilones from the Fungus Chaetomium cupreum CC3003
Somdej Kanokmedhakul, Kwanjai Kanokmedhakul, Pitak Nasomjai, Sysavad Louangsysouphanh,Kasem Soytong, Minoru Isobe, Palangpon Kongsaeree, Samran Prabpai, and Apichart Suksamrarn
Structure      13C NMR   碳谱模拟图

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

33 .     rotiorinol C
C23H26O6     相似度:60.8%
Journal of Natural Products          2006          69          891-895
Antifungal Azaphilones from the Fungus Chaetomium cupreum CC3003
Somdej Kanokmedhakul, Kwanjai Kanokmedhakul, Pitak Nasomjai, Sysavad Louangsysouphanh,Kasem Soytong, Minoru Isobe, Palangpon Kongsaeree, Samran Prabpai, and Apichart Suksamrarn
Structure      13C NMR   碳谱模拟图

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

34 .     chaetoviridin B
C23H29ClO7     相似度:60.8%
Chemical & Pharmaceutical Bulletin          1990          38          625-628
Four New Azaphilones from Chaetomium globosum var. flavo-viridae
Masanao TAKAHASHI,Kiyotaka KOYAMA and Shinsaku NATORI
Structure      13C NMR   碳谱模拟图

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35 .     Chaetomugilin D
C23H27O6Cl     相似度:60.8%
Bioorganic & Medicinal Chemistry Letters          2009          19          1572-1574
Bioactive metabolites produced by Chaetomium globosum, an endophytic fungus isolated from Ginkgo biloba
Jian-Chun Qin, Ya-Mei Zhang, Jin-Ming Gao, Ming-Sheng Bai, Sheng-Xiang Yang, Hartmut Laatsch, An-Ling Zhang
Structure      13C NMR   碳谱模拟图
2楼2013-03-21 17:38:06
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感谢参与,应助指数 +1
paopaoxiaozhu: 金币+9, 有帮助 2013-03-23 19:25:44
.     sclerotioramine
C21H24ClNO4     相似度:95.2%
Journal of Natural Products          2010          73          942-948
Chemical Epigenetics Alters the Secondary Metabolite Composition of Guttate Excreted by an Atlantic-Forest-Soil-Derived Penicillium citreonigrum
Xiaoru Wang, José G. Sena Filho, Ashley R. Hoover, Jarrod B. King, Trevor K. Ellis, Douglas R. Powell and Robert H. Cichewicz
Structure      13C NMR   碳谱模拟图

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

2 .     3-N-methylsclerotiorinamine
C22H26NO4Cl     相似度:86.3%
Journal of Natural Products          2000          63          1303-1305
8-O-Methylsclerotiorinamine, Antagonist of the Grb2-SH2 Domain, Isolated from Penicillium multicolor
Ji-Youn Nam,Hyae-Kyeong Kim,Ju-Young Kwon,Mi Young Han,Kwang-Hee Son,Un Chul Lee, Jung-Do Choi, and Byoung-Mog Kwon
Structure      13C NMR   碳谱模拟图

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

3 .     isochromophilone VI
C23H28NO5Cl     相似度:82.6%
The Journal of Antibiotics          1995          48          696-702
Isochromophilones III - VI, Inhibitors of Acyl-CoA: Cholesterol Acyltransferase Produced by Penicillium multicolor FO-3216
NORIKO ARAI, KAZURO SHIOMI, HIROSHI TOMODA, NORIKO TABATA, DA JUN YANG, ROKURO MASUMA, TOMOYA KAWAKUBO, SATOSHI OMURA
Structure      13C NMR   碳谱模拟图
3楼2013-03-23 18:25:39
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