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阿lei

铜虫 (小有名气)

[求助] 求解谱

求解谱:C-NMR数据如下(溶剂丙酮):
176.312, 164.949, 161.610, 157.491, 145.362, 137.396, 131.578, 131.339, 130.189, 129.009, 128.772, 128.323, 127.864, 103.593, 98.692, 94.023, 65.267, 30.742, 19.234, 13.346.谢谢!
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二氯甲烷

金虫 (正式写手)

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阿lei: 金币+6, ★★★★★最佳答案, 谢谢您! 2012-07-02 18:59:24
1 .     izalpinin,5-hydroxy-7-methoxy-flavonol
    相似度:70%
China Journal of Chinese Materia Medica          1999          24         
Flavonoids from Beijing Propolis
Zhou Lidong, Guo Jia and Yu Jingguang
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

2 .     Galangin
    相似度:70%
Magnetic Resonance in Chmesitry          2001          39          374-380
13C CP/MAS NMR studies of flavonoids
Iwona Wawer and Agnieszka Zielinska
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

3 .     galangin
    相似度:70%
Chinese Pharmaceutical Journal          1996          31          264-266
The chemical constituents of flavonoids from Liaoxi propolis
Chi Jiaping, Xue Bingwen, Chen Haisheng
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

4 .     8-benzyl-6-(4-fluorophenyl)-2-(4-hydroxyphenylmethyl)-3,7-dihydroimidazo[1,2-a]pyrazin-3-one
C26H20N3O2F     相似度:65%
Heterocycles          2005          65          843-856
Novel Synthetic Route of Coelenterazines -2-: Synthesis of Various Dehydrocoelenterazine Analogs
Nobuhiro Kondo, Masaki Kuse, Thumnoon Mutarapat, Nopporn Thasana, and Minoru Isobe*
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

5 .     2-(4-(Benzyloxy)phenyl)-4-butoxypyrimidine
C21H22N2O2     相似度:65%
Tetrahedron          2012          68          272-279
Suzuki–Miyaura cross-coupling reaction of aryl and heteroaryl pinacol boronates for the synthesis of 2-substituted pyrimidines
Shigehiro Asano, Seiji Kamioka, Yoshiaki Isobe
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

6 .     3-(2-chlorobenzyloxy)-5,7-dihydroxy-2-phenyl-4H-chro-men-4-one
C22H15ClO5     相似度:65%
Bioorganic & Medicinal Chemistry          2010          18          7331-7337
3-O-Arylmethylgalangin, a novel isostere for anti-HCV 1, 3-diketoacids (DKAs)
Hyo Seon Lee, Kwang-su Park, Bokhui Lee, Dong-Eun Kim, Youhoon Chong
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

7 .     5,7-dihydroxy-3-(2-methylbenzyloxy)-2-phenyl-4H-chro-men-4-one
C23H18O5     相似度:61.9%
Bioorganic & Medicinal Chemistry          2010          18          7331-7337
3-O-Arylmethylgalangin, a novel isostere for anti-HCV 1, 3-diketoacids (DKAs)
Hyo Seon Lee, Kwang-su Park, Bokhui Lee, Dong-Eun Kim, Youhoon Chong
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

8 .     2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7-(2-methylbenzyloxy)-4H-chromen-4-one
C23H18O7     相似度:60.8%
Archives of Pharmacal Research          2012          35          77-85
Synthesis and antiviral evaluation of 7-O-arylmethylquercetin derivatives against SARS-associated coronavirus (SCV) and hepatitis C virus (HCV)
Hye Ri Park, Hyunjun Yoon, Mi Kyoung Kim, Sung Dae Lee and Youhoon Chong
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

9 .     8-methoxy-3,5,7-trihydroxyflavone
    相似度:60%
Phytochemistry          2003                   335-341
Activity-guided isolation of the chemical constituents of Muntingia calabura using a quinone reductase induction assay
Bao-Ning Su, Eun Jung Park, Jose Schunke Vigo, James G. Graham,Fernando Cabieses, Harry H.S. Fong, John M. Pezzuto, A. Douglas Kinghorn
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

10 .     compound 9c
    相似度:60%
Chemical Journal of Chinese Universities          2009          30          82-89
2-甲基-7-[ω-(12咪唑基)-烷氧基]异黄酮衍生物的全合成及其抗氧化活性
陈战国, 赵海霞, 魏俊发, 刘勃
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

11 .     5-benzoyl-1-butyl-4-hydroxy-6-methyl-3-phenyl-2(1H)-pyri-dinone
C23H23NO3     相似度:60%
Journal of Heterocyclic Chemistry          2009          46          96-99
The reaction of (chlorocarbonyl)phenyl ketene with enaminones: A novel synthesis of some 5-acyl-4-hydroxy-2-(1H)-pyridinones and 7-hydroxy-5-oxo-1,4-diazepin derivative
Mehdi Abaszadeh,Hassan Sheibani and Kazem Saidi
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

12 .     Cathayanon G
C25H28O6     相似度:60%
Journal of Asian Natural products Research          2010          12          505-515
Chemical constituents of the stem bark of Morus cathayana
Gang Ni; Qing-Jian Zhang; Ying-Hong Wang; Ruo-Yun Chen; Zhong-Fei Zheng; De-Quan Yu
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

13 .     高良姜素-3-甲醚
    相似度:60%
Chinese Traditional and Herbal Drugs          2006          37          663-664
Flavonoids of Alpinia officinarum
AN Ning; YANG Shi-lin; ZOU Zhong-mei; XU Li-zhen
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

14 .     izatpinin
    相似度:60%
Chinese Pharmaceutical Journal          1996          31          264-266
The chemical constituents of flavonoids from Liaoxi propolis
Chi Jiaping, Xue Bingwen, Chen Haisheng
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

15 .     3-Ethoxymethyl-7-(4-fluoro-phenyl)-6-phenyl-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-0ne
C21H18FN3O2     相似度:60%
Archiv der Pharmazie          2006          339          174-181
Synthesis of Non-Nucleosides: 7-and 1,3-Substituents of New Pyrrolo[2,3-d]pyrimidin-4-ones on Antiviral Activity
Khalid Mohammed Hassan Hilmy
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

16 .     p-Amidinophenyl-p-(4-phenylpiperidinomethyl)benzoate dihydrochloride
    相似度:60%
Bioorganic & Medicinal Chemistry          1997          5          971-985
New serine protease inhibitors with leukotriene B4 (LTB4) receptor binding affinity
Yoshisuke Nakayama, Kazuhiko Senokuchi, Katsuhito Sakaki, Masashi Kato, Toru Maruyama, Toru Miyazaki, Hidenori Ito, Hisao Nakai, Masanori Kawamura
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

17 .     3-(4-chlorobenzyloxy)-5,7-dihydroxy-2-phenyl-4H-chromen-4-one
C22H15ClO5     相似度:60%
Bioorganic & Medicinal Chemistry          2010          18          7331-7337
3-O-Arylmethylgalangin, a novel isostere for anti-HCV 1, 3-diketoacids (DKAs)
Hyo Seon Lee, Kwang-su Park, Bokhui Lee, Dong-Eun Kim, Youhoon Chong
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

18 .     5,7-dihydroxy-3-(4-methylbenzyloxy)-2-phenyl-4H-chromen-4-one
C23H18O5     相似度:60%
Bioorganic & Medicinal Chemistry          2010          18          7331-7337
3-O-Arylmethylgalangin, a novel isostere for anti-HCV 1, 3-diketoacids (DKAs)
Hyo Seon Lee, Kwang-su Park, Bokhui Lee, Dong-Eun Kim, Youhoon Chong
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

19 .     (3R,4S,5S,7S)-4-(4-bro-mophenylcarbonyloxy)-7-methyl-1,6-dioxaspiro[4.5]dec-3-yl-methyl 4-bromobenzoate
    相似度:60%
The Journal of Organic Chemistry          2006          71          7125-7132
Comprehensive Study of Okaspirodiol:  Characterization, Total Synthesis, and Biosynthesis of a New Metabolite from Streptomyces
Tobias Bender, Tim Schuhmann, Jörg Magull, Stephanie Grond, and Paultheo von Zezschwitz
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

20 .     ethyl 3'-chloro-4'-(4-chlorophenyl)-1-oxo-1,2,3,-4,4',5'-hexahydro-3'H-spiro[naphthalene-2,5'-pyra-zole]-3'-carboxylate
C21H18Cl2N2O3     相似度:60%
Russian Journal of Organic Chemistry          2005          41          1036-1042
Reactions of Substituted Ethyl 1,2,3,4,4′,5′-Hexahydrospiro-[naphthalene-2,5′-pyrazole]-3′-carboxylates with Halogens
A. P. Molchanov, V. S. Korotkov, J. Kopf and R. R. Kostikov
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

21 .     ethyl 3'-bromo-1-oxo-4'-phenyl-1,2,3,4,4',5'-hexahydro-3'H-spiro[naphthalene-2,5'-pyrazole]-3'-carboxylate
    相似度:60%
Russian Journal of Organic Chemistry          2005          41          1036-1042
Reactions of Substituted Ethyl 1,2,3,4,4′,5′-Hexahydrospiro-[naphthalene-2,5′-pyrazole]-3′-carboxylates with Halogens
A. P. Molchanov, V. S. Korotkov, J. Kopf and R. R. Kostikov
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

22 .     interruptin D
C25H18O6     相似度:57.1%
Planta Medica          2000          66          728-733
Bioactive Coumarin Derivatives from the Fern Cyclosorus interruptus
Tulla Quadri-Spinelli,Jörg Heilmann,Topul Rali,Otto Sticher
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

23 .     butyl 2-methyl-5-phenylH-pyrazolo[5,1-a]isoquinoline-1-carboxylate
C23H22N2O2     相似度:57.1%
Tetrahedron          2012          68          2765-2769
An efficient approach to H-pyrazolo[5,1-a]isoquinolines via a silver triflate-catalyzed reaction of N'-(2-alkynylbenzylidene)hydrazide with allenoate
Liang Gao, Shengqing Ye, Qiuping Ding, Zhiyuan Chen, Jie Wu
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

24 .     camptothecin
C20H16N2O4     相似度:55%
Journal of Natural Products          2000          63          1273-1276
Use of COMPARE Analysis to Discover New Natural Product Drugs: Isolation of Camptothecin and 9-Methoxycamptothecin from a New Source
Bing-Nan Zhou,Jeannine M. Hoch,Randall K. Johnson, Michael R. Mattern, Wai-Kwong Eng,Ji Ma,Sidney M. Hecht, David J. Newman, and David G. I. Kingston
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

25 .     23,23'-di-(+)-(R)-MTPA ester
    相似度:55%
Chemical & Pharmaceutical Bulletin          1990          38          2409-2418
Marine Natural Products. XXII. : The Absolute Stereostructure of Swinholide A, a Potent Cytotoxic Dimeric Macrolide from the Okinawan Marine Sponge Theonella swinhoei
Motomasa KOBAYASHI,Jun-ichi TANAKA,Taketo KATORI,Miki MATSUURA,Megumi YAMASHITA and Isao KITAGAWA
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

26 .     23,23'-di-(-)-(S)-MTPA ester
    相似度:55%
Chemical & Pharmaceutical Bulletin          1990          38          2409-2418
Marine Natural Products. XXII. : The Absolute Stereostructure of Swinholide A, a Potent Cytotoxic Dimeric Macrolide from the Okinawan Marine Sponge Theonella swinhoei
Motomasa KOBAYASHI,Jun-ichi TANAKA,Taketo KATORI,Miki MATSUURA,Megumi YAMASHITA and Isao KITAGAWA
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

27 .     3-Ethoxycarbonyl-2-benzyl isoquinolinium bromide
C19H18NO2     相似度:55%
Molecules          2002          7          252-263
Reactivity of 3-Ethoxycarbonyl Isoquinolinium Salts Towards Various Nucleophilic Reagents: Applications to the Synthesis of New 1, 2-Dihydroisoquinoline-3-carboxylates
Mohamed A. Meziane and Jean P. Bazureau
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

28 .     3-Ethoxycarbonyl-2-benzyl isoquinolinium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
C42H36N2O7F9S     相似度:55%
Molecules          2002          7          252-263
Reactivity of 3-Ethoxycarbonyl Isoquinolinium Salts Towards Various Nucleophilic Reagents: Applications to the Synthesis of New 1, 2-Dihydroisoquinoline-3-carboxylates
Mohamed A. Meziane and Jean P. Bazureau
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

29 .     5-Chloro-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-ylthio]methyl]-6-phenylpyridazin-3(2H)-one
C19H12Cl2N4O2S     相似度:55%
Molecules          2009          14          3676-3687
Synthesis and Antifungal Activity of 5-Chloro-6-Phenylpyridazin-3(2H)-one Derivatives
Jian Wu, Baoan Song, Hongjun Chen, Pinaki Bhadury and Deyu Hu
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

30 .     5-Chloro-2-[[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-ylthio]methyl]-6-phenylpyridazin-3(2H)-one
C19H11Cl3N4OS2     相似度:55%
Molecules          2009          14          3676-3687
Synthesis and Antifungal Activity of 5-Chloro-6-Phenylpyridazin-3(2H)-one Derivatives
Jian Wu, Baoan Song, Hongjun Chen, Pinaki Bhadury and Deyu Hu
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

31 .     Asiaticin
C19H20O4     相似度:55%
Journal of Asian Natural Products Research          2007          9          407-414
Chemical constituents of Centella asiatica
B. S. SIDDIQUI, H. ASLAM, S. T. ALI, S. KHAN and S. BEGUM
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

32 .     spatozoate
C19H20O4     相似度:55%
Phytochemistry          1999          52          495-499
Spatozoate and varninasterol from the brown alga Spatoglossum variabile
Atta-ur-Rahman, M. Iqbal Choudhary, Safdar Hayat, A. Majeed Khan, Aftab Ahmad, Shahid Malik
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

33 .     camptothecine
    相似度:55%
Journal of Natural Products          1990          Vol 53          186
13C-nmr Assignments of Camptothecine and 10-Hydroxycamptothecine
Long-Ze Lin, Geoffrey A. Cordell
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

34 .     compound 7b
    相似度:55%
Chemical Journal of Chinese Universities          2009          30          82-89
2-甲基-7-[ω-(12咪唑基)-烷氧基]异黄酮衍生物的全合成及其抗氧化活性
陈战国, 赵海霞, 魏俊发, 刘勃
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

35 .     compound 9a
    相似度:55%
Chemical Journal of Chinese Universities          2009          30          82-89
2-甲基-7-[ω-(12咪唑基)-烷氧基]异黄酮衍生物的全合成及其抗氧化活性
陈战国, 赵海霞, 魏俊发, 刘勃
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

36 .     Compound 5a
C22H18N2O4     相似度:55%
Tetrahedron Letters          2012          53          497-501
Palladium-catalyzed synthesis of benzo[c]pyrimido[1,6-a]azepine scaffold from Morita-Baylis-Hillman adducts: intramolecular 6-arylation of uracil nucleus
Hyun Seung Lee,Ko Hoon Kim,Se Hee Kim,Jae Nyoung Kim
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

37 .     ethyl 4-hydroxy-5-[(4-methylphenyl)sulfanyl]-2,6-diphenyl-3-pyridinecarboxylate
C27H23NO3S     相似度:55%
Chemical & Pharmaceutical Bulletin          2010          58          602-610
A Facile Synthesis and Discovery of Highly Functionalized Tetrahydro-pyridines and Pyridines as Antimycobacterial Agents
Suresh Kumar Raju, Michael Rajesh Stephen, Perumal Subbu, Banerjee Debjani, Yogeeswari Perumal and Sriram Dharmarajan
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

38 .     8-C-(1,1-dimethyl-2-propen-1-yl)-5,7-dihydroxyflavonol
    相似度:55%
Phytochemistry          1990          29          1348-1350
Further non-polar flavonols from Platanus acerifolia buds
Mourad Kaouadji,Patrick Ravanel
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

39 .     5-acetyl-4-hydroxy-6-methyl-3-phenyl-1-p-toly1-2(1H)-pyridinone
C21H19NO3     相似度:55%
Journal of Heterocyclic Chemistry          2009          46          96-99
The reaction of (chlorocarbonyl)phenyl ketene with enaminones: A novel synthesis of some 5-acyl-4-hydroxy-2-(1H)-pyridinones and 7-hydroxy-5-oxo-1,4-diazepin derivative
Mehdi Abaszadeh,Hassan Sheibani and Kazem Saidi
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

40 .     compound 5f
C23H24N4O2S     相似度:55%
Journal of Heterocyclic Chemistry          2009          46          139-148
The first example of a regioselective Biginelli-like reaction based on 3-alkylthio-5-amino-1,2,4-triazole
Qiong Chen,Li-Li Jiang,Chao-Nan Chen and Guang-Fu Yang
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

41 .     compound 5g
C23H24N4O3S     相似度:55%
Journal of Heterocyclic Chemistry          2009          46          139-148
The first example of a regioselective Biginelli-like reaction based on 3-alkylthio-5-amino-1,2,4-triazole
Qiong Chen,Li-Li Jiang,Chao-Nan Chen and Guang-Fu Yang
Structure      13C NMR   碳谱模拟图
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