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19.83,23.36,25.36,28.63,31.27,32.15,32.82,33.24,34.49,45.01,45.24,47.41,51.27,59.26,59.92,123.54,127.02,128.67,142.85,172.67
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jiujiupy: 金币+1, 有帮助 2014-12-05 12:05:16
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查询结果:共查到388个化合物(查询结果仅供参考)  
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1 .     methoxycamalexin
C12H10N2OS     相似度:75%
Tetrahedron          1991          47          3909-3914
The camalexins: New phytoalexins produced in the leaves of camelina sativa (cruciferae).
Lois M. Browne, Kenneth L. Conn, William A. Ayert, Jalpa P. Tewari
Structure      13C NMR   碳谱模拟图
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2 .     10-propionyl
C16H16N2O2     相似度:62.5%
Molecules          2008          13          1584-1598
A Simple, Rapid and Mild One Pot Synthesis of Benzene Ring Acylated and Demethylated Analogues of Harmine under Solvent-free Conditions
Sabira Begum, Syed N. Ali, Farhat Farhat, Syed I. Hassan and Bina S. Siddiqui
Structure      13C NMR   碳谱模拟图
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3 .     5-methoxy-4'-methyl-N-phenylanthranilic acid
C15H15NO3     相似度:61.5%
Journal of Heterocyclic Chemistry          2008          45          67-70
Oxidative coupling of acridinones: Synthesis of new C2-symmetry atropisomers
Karine Scarpellini-Charras,Gérard Boyer,Nathalie Filloux and Jean-Pierre Galy
Structure      13C NMR   碳谱模拟图
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4 .     compound 23
    相似度:61.5%
Organic Magnetic Resonance          1984          22          491-504
13C nuclear magnetic resonance of some derivatives of phenothiazines, pyridobenzothiazines and phenoxazines
Misa V. Jovanovic and Edward R. Biehl
Structure      13C NMR   碳谱模拟图
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5 .     10-(3-methoxyphenyl)-10H-phenothiazine
    相似度:61.5%
Organic Magnetic Resonance          1984          22          491-504
13C nuclear magnetic resonance of some derivatives of phenothiazines, pyridobenzothiazines and phenoxazines
Misa V. Jovanovic and Edward R. Biehl
Structure      13C NMR   碳谱模拟图
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6 .     10-Acetyl-11-methoxy-3-methyl-β-carboline
C15H14N2O2     相似度:60%
Molecules          2008          13          1584-1598
A Simple, Rapid and Mild One Pot Synthesis of Benzene Ring Acylated and Demethylated Analogues of Harmine under Solvent-free Conditions
Sabira Begum, Syed N. Ali, Farhat Farhat, Syed I. Hassan and Bina S. Siddiqui
Structure      13C NMR   碳谱模拟图
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7 .     7-(2-Methoxyethoxy)-1-methyl-β-carboline
C15H16N2O2     相似度:60%
Bioorganic & Medicinal Chemistry          2011          19          134-144
Synthesis and evaluation of β-carboline derivatives as potential monoamine oxidase inhibitors
J. Reniers, S. Robert, R. Frederick, B. Masereel, S. Vincent, J. Wouters
Structure      13C NMR   碳谱模拟图
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8 .     3-(3-(difluoromethyl)-5-(4-fluorophenyl)-1-phenyl-1H-pyr-azol-4-yl)acrylonitrile
C19H12F3N3     相似度:60%
Tetrahedron          2013          69          6993-7000
A new and direct route to 3-fluoromethyl substituted pyrazol-4-acrylates via Pd-catalyzed C–H activation Original Research Article
Xiaoguang Wang, Xiang Fang, Hongyuan Xiao, Dongming Gong, Xueyan Yang, Fanhong Wu
Structure      13C NMR   碳谱模拟图
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9 .     8-Methoxy-5H-imidazole[5,1-a]isoindole
C11H10N2O     相似度:58.3%
Canadian Journal of Chemistry          2008          86          325-332
Intramolecular cyclization reaction -Palladium(0)-catalyzed cyclization is more effective than tin hydride mediated reaction
Krishna C. Majumdar, Pradip Debnath, Abu Taher, and Amarta K. Pal
Structure      13C NMR   碳谱模拟图
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10 .     1-(2-Hydoxyphenyl)-4(methoxyphenyl)-2,6-diphenyl-1,4-dihydropyridine
C30H25NO2     相似度:58.3%
Canadian Journal of Chemistry          2006          84          1064-1073
A new and efficient one-pot solid-supported synthesis of 1,2,4,6-tetraaryl-1,4-dihydropyridines
Anil K. Verma, Summon Koul, Tej K. Razdan, and Kamal K. Kapoor
Structure      13C NMR   碳谱模拟图
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11 .     2,9-di-(4-methoxybenzoyl)-1,10-phenanthroline
C28H20N2O4     相似度:58.3%
Journal of Heterocyclic Chemistry          2004          41          795-798
Synthesis of 2,9-diacyl-1,10-phenanthrolines
A. Paul Krapcho and Akbar Ali
Structure      13C NMR   碳谱模拟图
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12 .     2-methoxy-5-(4-methoxyphenyl)pyridine
C13H13NO2     相似度:58.3%
Heterocycles          2010          80          359-368
Palladium-Catalyzed Cross-Coupling Reaction of Heteroaryltriolborates with Aryl Halides for Synthesis of Biaryls
Yasunori Yamamoto, Miho Takizawa, Xiao-Qiang Yu, and Norio Miyaura
Structure      13C NMR   碳谱模拟图
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13 .     3-[4'-methylphenyl]-5-[4'-methoxyphenyl]-l,2,4-oxadiazole
C16H14N2O2     相似度:58.3%
Bioorganic & Medicinal Chemistry Letters          1999          9          209-212
Parallel synthesis of 1,2,4-oxadiazoles using CDI activation
Tracy L. Deegan, Theodore J. Nitz, Diane Cebzanov, Denise E. Pufko, John A. Porco Jr
Structure      13C NMR   碳谱模拟图
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14 .     Compound 9
    相似度:58.3%
Magnetic Resonance in Chemistry          2009          47          1101-1109
NMR and conformational studies of new 5-phenylpyrrole-carboxamide derivatives (pages 1101–1109)
Luisa C. López-Cara, M. José Pineda de las Infantas, M. Dora Carrión, M. Encarnación Camacho, Miguel A. Gallo, Antonio Espinosa and Antonio Entrena
Structure      13C NMR   碳谱模拟图
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15 .     2-hydroxy-3-methoxy-5-(2-propenyl) phenol
    相似度:58.3%
Modern Chinese Medicine          2010          12(6)          16-19
Study on the Chemical Constituents from Myristica fragrans Houtt
Zhang Lei, Xu Yunfeng, Shen Shuo, Zeng Yimei, Peng Qing, Hao Shujuan, LiN ing, Wang Jinhui
Structure      13C NMR   碳谱模拟图
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16 .     (E)-1-(4-methoxyphenyl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one
    相似度:58.3%
Bioorganic & Medicinal Chemistry          2009          17          6780-6785
Solution-phase parallel synthesis of substituted chalcones and their antiparasitary activity against Giardia lamblia
Julio Montes-Avila, Sylvia P. Díaz-Camacho, Josefina Sicairos-Félix, Francisco Delgado-Vargas, I.A. Rivero
Structure      13C NMR   碳谱模拟图
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17 .     4-hydroxy-6-methyl-3-[1-(2-phenylhydrazazono)methyl]-2H-pyran-2-one
C13H12N2O3     相似度:58.3%
Journal of Heterocyclic Chemistry          2011          48          710-714
Synthesis of some pyrano[2,3-c]pyrazoles
James W. Pavlik, Vuthichai Ervithayasuporn and Supawan Tantayanon
Structure      13C NMR   碳谱模拟图
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18 .     3,3-dimethyl-2-(1H-pyrazol-4-yl)-3H-indolium thiocyanate
C14H14N4S     相似度:58.3%
Journal of Heterocyclic Chemistry          2011          48          663-670
Reactions of 2-(diformylmethylidene)-3,3-dimethylindole with hydrazides: Synthesis of new pyrazolylindolenine derivatives—the unprecedented one-pot pyrazole–thiadiazole double annulation
Hamid Khaledi, Hapipah Mohd Ali, Noel Francis Thomas and Seik Weng Ng
Structure      13C NMR   碳谱模拟图
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19 .     7-nitro-2-p-tolyl-2,3-dihydro-1,2-benzoselenazole 1-oxide
C14H12N2O3Se     相似度:58.3%
European Journal of Organic Chemistry          2011                   5485-5497
Synthesis and Glutathione Peroxidase-Like Activities of Isoselenazolines
Vijay P. Singh, Harkesh B. Singh and Ray J. Butcher
Structure      13C NMR   碳谱模拟图
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20 .     3,4-dimethoxy-2-nitrodiphenylamine
C14H14N2O4     相似度:58.3%
Journal of Medicinal Chemistry          1999          42          2373-2382
Structure−Activity Relationships for 5-Substituted 1-Phenylbenzimidazoles as Selective Inhibitors of the Platelet-Derived Growth Factor Receptor
Brian D. Palmer, Alan J. Kraker, Brian G. Hartl, Athanasia D. Panopoulos, Robert L. Panek, Brian L. Batley, Gina H. Lu, Susanne Trumpp-Kallmeyer, H. D. Hollis Showalter, and William A. Denny
Structure      13C NMR   碳谱模拟图
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21 .     (E)-3-(3-methoxyphenyl)-1-phenylprop-2-en-1-one
    相似度:58.3%
Journal of the Iranian Chemical Society          2012          9          705-708
Deamination of cis and trans-aziridines using diethyl thiourea and iodine
Heshmat A. Samimi, Zahra Shams, Ahmad R. Momeni
Structure      13C NMR   碳谱模拟图
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22 .     2-(2-((1H-indol-3-yl)methylene)hydrazinyl)-1,3,4-thiadiazole
C11H9N5S     相似度:58.3%
Chemical & Pharmaceutical Bulletin          2013          69          160-166
One Pot Synthesis and Biological Activity Evaluation of Novel Schiff Bases Derived from 2-Hydrazinyl-1,3,4-thiadiazole
Kamaleddin Haj Mohammad Ebrahim Tehrani, Soroush Sardari, Vida Mashayekhi, Marjan Esfahani Zadeh, Parisa Azerang, Farzad Kobarfard
Structure      13C NMR   碳谱模拟图
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23 .     2-(2-((1H-indol-3-yl)methylene)hydrazinyl)-1,3,4-thiadiazole
C11H9N5S     相似度:58.3%
Chemical & Pharmaceutical Bulletin          2013          69          144-150
Synthesis of Novel Indole Hydrazone Derivatives and Evaluation of Their Antiplatelet Aggregation Activity
Vida Mashayekhi, Kamaleddin Haj Mohammad Ebrahim Tehrani, Salimeh Amidi, Farzad Kobarfard
Structure      13C NMR   碳谱模拟图
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24 .     3-(4-methoxyphenyl)-2-(methylsulfanyl)thieno[3,2-c]pyridine
C15H13NOS2     相似度:58.3%
Helvetica Chimica Acta          2013          96          69-75
Three-Step Synthesis of 3-Aryl-2-sulfanylthieno[2,3-b]-, -[2,3-c]-, or -[3,2-c]pyridines from the Corresponding Aryl(halopyridinyl)methanones
Kazuhiro Kobayashi, Teruhiko Suzuki and Yuko Egara
Structure      13C NMR   碳谱模拟图
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25 .     2-(4-methoxyphenyl)-benzoxazole
C14H11NO2     相似度:58.3%
Tetrahedron          2013          69          2909-2919
Highly stereoselective cycloadditions of Danishefsky's diene to (−-8-phenylmenthyl and (+)-8-phenylneomenthyl glyoxylate N-phenylethylimines
Xerardo García-Mera, Maria J. Alves, Albertino Goth, Maria Luísa do Vale, José E. Rodríguez-Borges
Structure      13C NMR   碳谱模拟图
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26 .     4-(2-methoxyphenoxy)benzaldehyde
    相似度:58.3%
Tetrahedron          2013          69          6884-6889
A 2,2′-bipyridine-palladacycle catalyzed the coupling of arylboronic acids with nitroarenes
Dongpo Peng, Ajuan Yu, Hailei Wang, Yangjie Wu, Junbiao Chang
Structure      13C NMR   碳谱模拟图
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27 .     2-(4-methoxyphenyl)benzoxazole
    相似度:58.3%
Tetrahedron          2013          69          10022-10029
An improved protocol for synthesis of N-arylamides and benzoxazoles by the copper-catalyzed reaction of aryl halides with nitriles
Dong-Xue Zhang, Shi-Kai Xiang, Hao Hu, Wen Tan, Chun Feng, Bi-Qin Wang, Ke-Qing Zhao, Ping Hu, Hua Yang
Structure      13C NMR   碳谱模拟图
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28 .     2-(3,5-dichlorophenyl)imidazo[1,2-a]pyridine
C13H8Cl2N2     相似度:58.3%
Tetrahedron Letters          2012          53          297-300
An efficient access to 2,3-diarylimidazo[1,2-a]pyridines via imidazo[1,2-a]pyridin-2-yl triflate through a Suzuki cross-coupling reaction-direct arylation sequence
Sophie Marhadour, Marc-Antoine Bazin, Pascal Marchand
Structure      13C NMR   碳谱模拟图
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29 .     1-Butyl-1H-benzo[d][1,3]oxazine-2,4-dione
C12H13NO3     相似度:58.3%
Bioorganic & Medicinal Chemistry          2012          20          6019-6033
Identification and development of the 1,4-benzodiazepin-2-one and quinazoline-2,4-dione scaffolds as submicromolar inhibitors of HAT
Rachel L. Clark, Carol J. Clements, Michael P. Barrett, Simon P. Mackay, Rajendra P. Rathnam, George Owusu-Dapaah, John Spencer, Judith K. Huggan
Structure      13C NMR   碳谱模拟图
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30 .     1-(6-Fluoropyridin-3-yl)-1H-benzimidazole
C12H8FN3     相似度:58.3%
Helvetica Chimica Acta          2013          96          853-863
Scope and Limitations of the Base-Free Copper(I) Oxide Catalyzed N-Heteroarylation of 1H-(Benz)imidazoles with B-Heteroarylboronic Acids or 2-Heteroaryl-4,4,5,5-tetramethyl-1,3,2-dioxaborolanes
Agathe Begouin and Maria-João R. P. Queiroz
Structure      13C NMR   碳谱模拟图
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31 .     compound 3i
    相似度:58.3%
Chinese Journal of Organic Chemistry          2013          33          860-865
Copper-Catalyzed Condensation Reaction of Amines with 1,3-Dicarbonyl Compounds to Produce Enaminones
Qu Yiping, Wang Longxiang, Zhou Xiaoyu, Feng Xiujuan, Bao Ming
Structure      13C NMR   碳谱模拟图
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32 .     1-(4-aminophenyl)-3-(3-nitrophenyl)urea
C13H12N4O3     相似度:58.3%
Tetrahedron          2014          70          8303-8311
Bis amide-aromatic-ureas—highly effective hydro- and organogelator systems
B.C. Baker, A.L. Acton, G.C. Stevens, W. Hayes
Structure      13C NMR   碳谱模拟图
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33 .     plakortamine C
C27H23N5Br2     相似度:57.1%
Journal of Natural Products          2002          65          1258-1261
Cytotoxic β-Carbolines and Cyclic Peroxides from the Palauan Sponge Plakortis nigra
Joel S. Sandler,Patrick L. Colin, John N. A. Hooper, and D. John Faulkner
Structure      13C NMR   碳谱模拟图
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34 .     2-Methylharminium iodide
    相似度:57.1%
Chemistry of Natural Compounds          2009          45          601-603
SYNTHESIS OF QUATERNARY SALTS OF Peganum harmala ALKALOIDS
A. Zh. Turmukhambetov, M. T. Agedilova, Zh. S. Nurmaganbetov,A. V. Kazantsev, E. E. Shul′ts M. M. Shakirov,I. Yu. Bagryanskaya, and S. M. Adekenov1
Structure      13C NMR   碳谱模拟图
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35 .     5,10-双甲基-2-甲氧基-7-甲基-1,4-蒽二酮
C16H12O5     相似度:56.2%
Lishizhen Medicine and Materia Medica Research          2012          23          2428-2429
Chemical Constituents in Petroleum Ether and Ethyl Acetate Extracts of Curcuma kwangsiensis
PAN Xiao-jiao; YANG Xiu-fen; CHEN Yong; WEI Yu-yan
Structure      13C NMR   碳谱模拟图
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36 .     4,8-dimethoxy-7-hydroxy-2-oxo-2H-1-benzopyran-5,6-dicarboxylic acid
C13H10O9     相似度:53.8%
Phytochemistry          2003                   433-436
Unique phenolic carboxylic acids from Sanguisorba minor
Nahla A. Ayoub
Structure      13C NMR   碳谱模拟图
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37 .     2-(4',5',6'-tribromo-2'-methoxyphenoxy)-4,6-dibromophenol
C13H7Br5O3     相似度:53.8%
Journal of Natural Products          2004          67          472-474
Isolation and Characterization of Polybrominated Diphenyl Ethers as Inhibitors of Microtubule Assembly from the Marine Sponge Phyllospongia dendyi Collected at Palau
Hongwei Liu, Michio Namikoshi, Shiori Meguro, Hiroshi Nagai, Hisayoshi Kobayashi, and Xinsheng Yao
Structure      13C NMR   碳谱模拟图
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38 .     4-(3'-nitro-4'-hydroxy phenyl)azodenzenesalicylic acid
    相似度:53.8%
Chinese Chemical Letters          2008          19          419-422
Synthesis of phenol-class azo derivatives of 4-aminosalicylic acid
Shi Fei Sheng, Hui Xia Zheng, Jiang Liu, Zheng Bao Zhao
Structure      13C NMR   碳谱模拟图
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39 .     2-Mercapto-5-methyl-8aH-[1,3]thiazolo[3,2-a]pyridin-3-yl)(2-thienyl)methanone
C13H11NOS3     相似度:53.8%
Molecules          2008          13          1066-1078
Facile Synthesis of Heterocycles via 2-Picolinium Bromide and Antimicrobial Activities of the Products
Elham S. Darwish
Structure      13C NMR   碳谱模拟图
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40 .     1-(3-Amino-2,5-dichloro-4,6-dicyanophenyl)-3-(2,6-difluoro-benzoyl)-urea
C16H7Cl2F2N5O2     相似度:53.8%
Chemical Research in Chinese Universities          2004          20          429-432
Synthesis of Novel Benzoylphenylurea Chitin Inhibitors From Chlorothalonil(Ⅱ)
LIN Jun, MAO De-shou, XU Rong, YAN Sheng-jiao
Structure      13C NMR   碳谱模拟图
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41 .     10-(4-Methoxybenzoylamino)-3,4,6,7,9,10-hexahydro-1,8(2H,5H)acridinedione
C21H22N2O4     相似度:53.8%
Canadian Journal of Chemistry          2007          85          572-575
Thermal and microwave assisted synthesis of N-aroylamino acridinediones
T. Josephrajan and V.T. Ramakrishnan
Structure      13C NMR   碳谱模拟图
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42 .     compound 6a
C19H18O8     相似度:53.8%
Chemical & Pharmaceutical Bulletin          1987          35          4429-4435
Flavonoids from Andrographis paniculata
MASANORI KUROYANAGI,MAKOTO SATO,AKIRA UENO and KOUZABURO NISHI
Structure      13C NMR   碳谱模拟图
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43 .     compound 3b
    相似度:53.8%
Organic letters          2000          2          1333-1336
Synthesis of Enamides Related to the Salicylate Antitumor Macrolides Using Copper-Mediated Vinylic Substitution
Ruichao Shen and John A. Porco, Jr.
Structure      13C NMR   碳谱模拟图
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44 .     compound 4a
C17H11N3O2     相似度:53.8%
Journal of Heterocyclic Chemistry          2008          45          1437-1443
Phenacyl esters of acetic acid derivatives and their application for the synthesis of 2-oxo-4-phenyl-5-(phenylhydrazono)-2,5-dihydro-furan-3-derivatives
Jan Hlaváč,Pavel Hradil,Radek Mělnický,Lubomír Kvapil,Petr Šlézar,Martin Grepl——,Pavel Hradil,Antonín Lyčka and Martin Grepl
Structure      13C NMR   碳谱模拟图
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45 .     8-bromoharmine
C13H11N2OBr     相似度:53.8%
Journal of Heterocyclic Chemistry          2001          38          1087-1095
Synthesis and isolation of bromo-β-carbolines obtained by bromination of β-carboline alkaloids
María A. Ponce and Rosa Erra-Balsells
Structure      13C NMR   碳谱模拟图
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46 .     compound 8b
C13H12O4     相似度:53.8%
Journal of Heterocyclic Chemistry          2000          37          751-755
The birch reduction of heterocyclic compounds V Birch reduction of 2- and 5-acylfuran-3-carboxylic acids and reductive elimination of 2-(arylmethoxymethyl)furan-3-carboxylic acids
Yasuo Ohta, Matsumi Doe, Yoshiki Morimoto and Takamasa Kinoshita
Structure      13C NMR   碳谱模拟图
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47 .     9-(4-chlorophenyl)-2-methyl-4,9,10-trihydro[1,2,4]triazolo[2',3':1,2]pyrido[4,3-d]pyridazine-10-one
C15H10ClN5O     相似度:53.8%
Heterocycles          2007          71          2627-2637
Studies Using (E)-6-Oxo-1-aryl-4-(2-N-piperidinyl)vinyl-1, 6-dihydropyridazine-5-carbonitrile
Ismail Abdelshafy Abdelhamid, Said Ahmed Soliman Ghozlan, Heinz Kolshorn, Herbert Meier, and Mohamed Hilmy Elnagdi
Structure      13C NMR   碳谱模拟图
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48 .     10-(3-methoxyphenyl)phenothiabismine 5,5-dioxide
C20H17BiO2S     相似度:53.8%
Heterocycles          2007          74          771-790
A New Preparative Method of Aryl Sulfonate Esters by Using Cyclic Organobismuth Reagents
Naoto Sakurai and Teruaki Mukaiyama
Structure      13C NMR   碳谱模拟图
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49 .     compound 2c
C13H12NNaO5S2     相似度:53.8%
Bioorganic & Medicinal Chemistry Letters          2001          11          2697-2699
The synthesis and properties of new 2-pyrrolylthiones as chelating agents for transition metals and technetium
Svetlana V. Selivanova, David Dolphin, Christian Brückner, Johan E. van Lier, Svetlana Kudrevich
Structure      13C NMR   碳谱模拟图
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50 .     Compound 4
    相似度:53.8%
Magnetic Resonance in Chemistry          2009          47          1101-1109
NMR and conformational studies of new 5-phenylpyrrole-carboxamide derivatives (pages 1101–1109)
Luisa C. López-Cara, M. José Pineda de las Infantas, M. Dora Carrión, M. Encarnación Camacho, Miguel A. Gallo, Antonio Espinosa and Antonio Entrena
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

51 .     N-p-tolyl-2,3-dihydrobenzo[1,4]dioxin-6-amine
    相似度:53.8%
Magnetic Resonance in Chemistry          2000          38          137-140
1H and 13C NMR spectral assignments of some tetracyclic phenothiazine derivatives
F. Chatel, R. Faure, G. Boyer and J. P. Galy
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

52 .     kaempferol
C15H10O6     相似度:53.8%
Chinese Traditional and Herbal Drugs          2010          41          1258-1260
红叶木姜子皮的化学成分研究
罗艺萍;赵兴堂;王丽;羊晓东;赵静峰;李良
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

53 .     6-methoxy-2-piperidinomethylene-3(2H)-benzofuranone
C15H17NO3     相似度:53.8%
Heterocycles          2001          55          881-888
Reaction of 3-Iodochromone with Nucleophiles 3. Formation of 2-Aminomethylene-3(2H)-benzofuranones by the Reaction with Secondary Amines
Yoshiaki Sugita,* Takako Iwaki, Misaki Okamoto, and Ichiro Yokoe
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

54 .     N-(4-methylphenyl)[1,4]benzodioxin-6-amine
C15H15NO2     相似度:53.8%
Heterocycles          2000          53          2535-2552
Synthesis of New N-Alkyl- and N-Acyldioxinophenothiazine and Acridinone Derivatives
Florence Chatel, Sandrine Morel, Gérard Boyer,* and Jean Pierre Galy
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

55 .     4-Methoxy-[N'-(benzofuroxan-5-yl)methylene]benzohydrazide
C15H12N4O4     相似度:53.8%
Bioorganic & Medicinal Chemistry          2009          17          3028-3036
Design, synthesis, antimicrobial activity and molecular modeling studies of novel benzofuroxan derivatives against Staphylococcus aureus
Salomão Dória Jorge, Andrea Masunari, Carlota Oliveira Rangel-Yagui, Kerly Fernanda Mesquita Pasqualoto, Leoberto Costa Tavares
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

56 .     2-methylthio-(E,E)-4,6-bis-(3'-hydroxy-4'-N,N-dimethylaminostyryl)pyrimidine
C25H28N4O2S     相似度:53.8%
Bioorganic & Medicinal Chemistry          2012          20          4921-4935
Small molecules that protect against β-amyloid-induced cytotoxicity by inhibiting aggregation of β-amyloid
Yun Suk Lee, Hye Yun Kim, YoungSoo Kim, Jae Hong Seo, Eun Joo Roh, Hogyu Han, Kye Jung Shin
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

57 .     5-amino-3-{[4-N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenylazo}-2,7-dihydroxypyrazolo-[1,5-a]pyrimidine
C18H17N9O4S     相似度:53.8%
Molecules          2013          18          832-844
Synthesis and Antibacterial Evaluation of Novel Heterocyclic Compounds Containing a Sulfonamido Moiety
Mohammad Emad Azab, Mohamed M. Youssef and Eman A. El-Bordany
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

58 .     2,4-bis(4-fluorophenyl)-6-methyl-5-nitropyrimidine
C17H11F2N3O2     相似度:53.8%
Journal of Heterocyclic Chemistry          2013          50          1395-1399
Synthesis of New 2,4-Diaryl-6-methyl-5-nitropyrimidines as Antibacterial and Antioxidant Agents
Mallikarjun Reddy Sura, Vasu Govardhana Reddy Peddiahgari, Rajendra Prasad Reddy Bhoomireddy and Rama Krishna Vadde
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

59 .     compound 17
    相似度:53.8%
Organic Magnetic Resonance          1984          22          459-463
Calculation of 13C NMR chemical shifts for aromatic carbons in polyalkylated benzenes
O. Sudmeijer, A. E. Wilson and G. R. Hays
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

60 .     10-phenylphenothiazine
    相似度:53.8%
Organic Magnetic Resonance          1984          22          491-504
13C nuclear magnetic resonance of some derivatives of phenothiazines, pyridobenzothiazines and phenoxazines
Misa V. Jovanovic and Edward R. Biehl
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

61 .     compound 17
    相似度:53.8%
Organic Magnetic Resonance          1984          22          471-473
A 13C NMR study of β-carboline alkaloids
Kazuo Koike, Yohko Sakamoto and Taichi Ohmoto
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

62 .     10-(2-methoxyphenyl)-10H-phenothiazine
    相似度:53.8%
Organic Magnetic Resonance          1984          22          491-504
13C nuclear magnetic resonance of some derivatives of phenothiazines, pyridobenzothiazines and phenoxazines
Misa V. Jovanovic and Edward R. Biehl
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

63 .     2-(3-methoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one
    相似度:53.8%
Bioorganic & Medicinal Chemistry          2011          19          3678-3689
Synthesis and biological testing of novel pyridoisothiazolones as histone acetyltransferase inhibitors
Silviya D. Furdas, Suhaib Shekfeh, Elisabeth-Maria Bissinger, Julia M. Wagner, Sonja Schlimme, Vassil Valkov, Michael Hendzel, Manfred Jung, Wolfgang Sippl
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

64 .     4-[5-(4-Fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenecarbothioamid
C17H11F4N3S     相似度:53.8%
Bioorganic & Medicinal Chemistry          2013          21          4581-4590
Synthesis of novel celecoxib analogues by bioisosteric replacement of sulfonamide as potent anti-inflammatory agents and cyclooxygenase inhibitors
Nisha Chandna, Satish Kumar, Pawan Kaushik, Dhirender Kaushik, Somendu K. Roy, Girish K. Gupta, Sanjay M. Jachak, Jitander K. Kapoor, Pawan K. Sharma
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

65 .     Harmine
    相似度:53.8%
Chemistry of Natural Compounds          2014          50          968-969
Isolation of Alkaloids from “Kursi caper” by Countercurrent Chromatography with pH-Dependent Distribution
Z. Talat, Y. Ali, H. A. Aisa
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

66 .     γ-Harmine
    相似度:53.8%
Chemistry of Natural Compounds          2014          50          968-969
Isolation of Alkaloids from “Kursi caper” by Countercurrent Chromatography with pH-Dependent Distribution
Z. Talat, Y. Ali, H. A. Aisa
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

67 .     harmine
    相似度:53.8%
Journal of Xinjiang Medical University          2003          26          113-116
Studies on the antitumor activity constituents of Xinjiang Peganum Harmala Seeds
TIAN xiao-li, SUN Dian-jia, DU Nian-sheng
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

68 .     (E)-3-(3,4-dimethoxyphenyl)-N-(thiazol-2-yl)acrylamide
C14H14N2O3S     相似度:53.8%
Bioorganic & Medicinal Chemistry          2014          22          5354-5367
Design, synthesis and evaluation of 2-aminothiazole derivatives as sphingosine kinase inhibitors
Dominik Vogt, Julia Weber, Katja Ihlefeld, Astrid Brüggerhoff, Ewgenij Proschak, Holger Stark
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

69 .     11-propionyloxy-3-methyl-β-carboline
C15H14N2O2     相似度:53.3%
Natural Product Research          2004          18          341-347
Synthesis and Antimycobacterial Activity of Some β-Carboline Alkaloids
Sabira Begum; Syed Imran Hassan; Bina S. Siddiqui
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

70 .     7-(Allyloxy)-1-methyl-β-carboline
C15H14N2O     相似度:53.3%
Bioorganic & Medicinal Chemistry          2011          19          134-144
Synthesis and evaluation of β-carboline derivatives as potential monoamine oxidase inhibitors
J. Reniers, S. Robert, R. Frederick, B. Masereel, S. Vincent, J. Wouters
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

71 .     7-(Isobutyloxy)-1-methyl-β-carboline
C16H18N2O     相似度:53.3%
Bioorganic & Medicinal Chemistry          2011          19          134-144
Synthesis and evaluation of β-carboline derivatives as potential monoamine oxidase inhibitors
J. Reniers, S. Robert, R. Frederick, B. Masereel, S. Vincent, J. Wouters
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

72 .     7-(N,N-Dimethylaminoethyloxy)-1-methyl-β-carboline
C16H19N3O     相似度:53.3%
Bioorganic & Medicinal Chemistry          2011          19          134-144
Synthesis and evaluation of β-carboline derivatives as potential monoamine oxidase inhibitors
J. Reniers, S. Robert, R. Frederick, B. Masereel, S. Vincent, J. Wouters
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

73 .     5-Methoxy-1-nitroacridone-4-carboxylic acid
    相似度:53.3%
Bioorganic & Medicinal Chemistry          2011          19          2190-2198
Radiosynthesis and in vivo evaluation of 1-[18F]fluoroelacridar as a positron emission tomography tracer for P-glycoprotein and breast cancer resistance protein
Bernd Dörner,Claudia Kuntner,Jens P. Bankstahl ,Thomas Wanek ,Marion Bankstahl ,Johann Stanek , Julia Müllauer , Florian Bauer , Severin Mairinger,Wolfgang Löscher ,Donald W. Miller , Peter Chiba , Markus Müller, Thomas Erker , Oliver Langer
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

74 .     N1-[1-(4-[2-(1H-2-indolyl)phenyl]ethanimidoylphenyl)ethylidene]-2-(1H-2-indolyl)aniline
C38H30N4     相似度:53.3%
Archives of Pharmacal Research          2011          Vol 34,No 7          1077-1084
Synthesis of Mono, Bis-2-(2-Arylideneaminophenyl) Indole Azomethines as Potential Antimicrobial Agents
Rondla Rohini, P. Muralidhar Reddy, Kanne Shanker, Kodipelli Kanthaiah, Vadde Ravinder, and Anren Hu
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

75 .     clausine L
C15H13NO3     相似度:53.3%
Organic & Biomolecular Chemistry          2008          6          2481-2483
First total synthesis of clausine L and pityriazole, a metabolite of the human pathogenic yeast Malassezia furfur
Ronny Forke, Anne Jäger and Hans-Joachim Knölker
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

76 .     2-(3-methoxy-5-(3-fluorophenyl)-1H-pyrazol-1-yl)pyridine
C15H12FN3O     相似度:53.3%
Tetrahedron          2012          68          3165-3171
3-Methoxypyrazoles from 1,1-dimethoxyethene, few original results
Elise Salanouve, Sandrine Guillou, Marine Bizouarne, Frédéric J. Bonhomme, Yves L. Janin
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

77 .     compound 7
C17H18N2O6S     相似度:53.3%
Tetrahedron          2014          70          1691-1701
Catalytic asymmetric Payne oxidation under the catalysis of P-spiro chiral triaminoiminophosphorane: application to the synthesis of N-sulfonyl oxaziridines
Daisuke Uraguchi, Ryosuke Tsutsumi, Takashi Ooi
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

78 .     5-(4-甲基苯甲酰基)-6-甲基-4-(4-氟苯基)-3,4-二氢嘧啶-2(1H)-硫酮
C19H17FN2OS     相似度:53.3%
Chinese Journal of Organic Chemistry          2014          34          1669-1672
Synthesis of C(5)-(p-Toluoyl substituted)-3,4-dihydropyrimi-dinones (or -thiones) via Biginelli Reaction Promoted with Microwave Irradiation under Solvent-Free Conditions
Li, Li Liu, QingjianSui, Xueyan
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

79 .     Cyathuscavin C
C17H14O9     相似度:52.9%
Bioorganic & Medicinal Chemistry Letters          2008          18          4047-4050
Cyathuscavins A, B, and C, new free radical scavengers with DNA protection activity from the Basidiomycete Cyathus stercoreus
Hahk-Soo Kang, Kyoung-Rok Kim, Eun-Mi Jun, Soon-Hye Park, Tae-Soo Lee, Joo-Won Suh, Jong-Pyung Kim
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

80 .     sorbicillin
    相似度:50%
Chemistry & Biodiversity          2006          Vol. 3          337
New Chemical Constituents from the Endophyte Streptomyces Species LR4616 Cultivated on Maytenus hookeri
Pei-Ji Zhao, Guo-Hong Li, and Yue-Mao Shen
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

81 .     1,2-dihydro-8-methoxy-2-oxoquinoline-4-carboxylic acid
C8H11NO4     相似度:50%
Helvetica Chimica Acta          2007          Vol. 90          776
Chemical Constituents from Cynoglossum gansuense
Yuan-Peng Jin, Xiao-Ning Wei and Yan-Ping Shi
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

82 .     2-(3',5'-Dibromo-2'-hydroxyphenoxy)-3,4,5-tribromophenol
    相似度:50%
Journal of Natural Products          2009          72          443-449
NMR Strategy for Unraveling Structures of Bioactive Sponge-Derived Oxy-polyhalogenated Diphenyl Ethers
Laurent Calcul, Raymond Chow, Allen G. Oliver, Karen Tenney, Kimberly N. White, Alexander W. Wood,Catherine Fiorilla, and Phillip Crews
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

83 .     capparin B
C11H11NO2S     相似度:50%
Chemical & Pharmaceutical Bulletin          2008          56(2)          189-191
Two New Alkaloids from Capparis himalayensis
Yun-Qiu LI,Shi-Lin YANG,He-Ran LI,and Li-Zhen XU
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

84 .     thunalbene
    相似度:50%
Journal of Natural Products          2007          70          968-973
Stilbenes from the Orchid Phragmipedium sp.
Eliane Garo,Jin-Feng Hu, Matt Goering, Grayson Hough, Mark O’Neil-Johnson, and Gary Eldridge
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

85 .     di-O-acetylendiandrin A
C24H28O6     相似度:50%
Journal of Natural Products          2007          70          1118-1121
Endiandrin A, a Potent Glucocorticoid Receptor Binder Isolated from the Australian Plant Endiandra anthropophagorum
Rohan A. Davis,Anthony R. Carroll, Sandra Duffy, Vicky M. Avery, Gordon P. Guymer, Paul I. Forster, and Ronald J. Quinn
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

86 .     spongiadioxin b
C12H4O3Br4     相似度:50%
Journal of Natural Products          2001          64          151-153
Spongiadioxins A and B, Two New Polybrominated Dibenzo-p-dioxins from an Australian Marine Sponge Dysidea dendyi
Natalia K.Utkina,Vladimir A. Denisenko, Olga V. Scholokova, Marina V. Virovaya,Andrey V. Gerasimenko, Dmitriy Yu. Popov, Vladimir B. Krasokhin, and Alexander M. Popov
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

87 .     harman
    相似度:50%
Chemical & Pharmaceutical Bulletin          1993          41          1169-1172
The 1H- and 13C-Nuclear Magnetic Resonance Spectra of Harman. Reinvestigation of the Assignments by One- and Two-Dimensional Methods
Hiroko SEKI,Akihiro HASHIMOTO and Tohru HINO
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

88 .     4-(2'-methyl-4'hydroxyphenyl)azodenzenesalicylic acid
    相似度:50%
Chinese Chemical Letters          2008          19          419-422
Synthesis of phenol-class azo derivatives of 4-aminosalicylic acid
Shi Fei Sheng, Hui Xia Zheng, Jiang Liu, Zheng Bao Zhao
Structure      13C NMR   碳谱模拟图
天道酬勤
2楼2014-12-05 10:04:22
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

jiujiupy

新虫 (小有名气)

引用回帖:
2楼: Originally posted by nkx1979 at 2014-12-05 10:04:22
查询结果:共查到388个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------

1 .     methoxycamalexin
C12H10N2OS     相似度:75%
Tetrahedron  ...

这个20个碳怎么微谱的结果都是十多个碳,差得太多了~
3楼2014-12-05 14:39:22
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

jiujiupy

新虫 (小有名气)

引用回帖:
2楼: Originally posted by nkx1979 at 2014-12-05 10:04:22
查询结果:共查到388个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------

1 .     methoxycamalexin
C12H10N2OS     相似度:75%
Tetrahedron  ...

这个20个碳,微谱出来只有十多个碳,差得太大了~
4楼2014-12-05 14:40:30
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

nkx1979

木虫 (正式写手)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
jiujiupy: 金币+14, ★★★很有帮助, 多谢啦 2014-12-09 12:21:08
网速卡了  查询结果:共查到468个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------

1 .     13α-(4'hydroxytigloyloxy)lupanine
C20H30N2O4     相似度:65%
Phytochemistry          1993          32          1603-1605
(+)-13α-(4'-Hydroxytigloyloxy) lupanine from Ormosia krugii
Martua P. Nasution, A.Douglas Kinghorn
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

2 .     Compound 8
    相似度:65%
Magnetic Resonance in Chemistry          2001          39          414-416
Assignment of 1H and 13C NMR data for (−-methyl thyrsiflorin A and some scopadulan precursors
Manuel Arnó, Miguel A. González, M. Luisa Marín and Ramón J. Zaragozá
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

3 .     compound A2-11
    相似度:65%
Magnetic Resonance in Chemistry          1998          36          779-796
13C NMR spectroscopy of tri- and tetracyclic quinolizidine alkaloids. Compilation and discussion
B. Mikhova and H. Duddeck
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

4 .     Smaditerpenic acid C
C21H34O4     相似度:61.9%
Magnetic Resonance in Chemistry          2008          46          775-779
Structure elucidation and complete NMR spectral assignments of four new diterpenoids from Smallantus sonchifolius (pages 775–779)
De-Qiang Dou, Fang Tian, Ying-Kun Qiu, Ting-Guo Kang and Feng Dong
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

5 .     cespitularin C
C20H32O     相似度:60%
Journal of Natural Products          2002          65          1429-1433
Novel Terpenoids from the Formosan Soft Coral Cespitularia hypotentaculata
Chang-Yih Duh,Ali Ali H. El-Gamal, Shang-Kwei Wang, and Chang-Feng Dai
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

6 .     13α-angeloyloxylupanine
    相似度:60%
Journal of Natural Products          1988          Vol 51          809
Alkaloids of Rothia trifoliata and Rothia hirsuta
Raouf A. Hussain, A. Douglas Kinghorn, Russell J. Molyneux
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

7 .     1-(2-Methyl-1,2,3,4-tetrahydroquinolin-4-yl)azepan-2-one
C16H22N2O     相似度:60%
Canadian Journal of Chemistry          2010          88          443-452
Imino Diels-Alder reaction - An efficient synthetic protocol for 2-methyl-4-substituted tetrahydroquinolines catalyzed by copper dipyridine dichloride
C.S. Kavitha, K.M. Hosamani, and R.S. Harisha
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

8 .     α-epimer of 17β-hydroxyandrosta-1,4-dien-3-one
    相似度:60%
Magnetic Resonance in Chemistry          2004          42          360-363
Complete 1H and 13C NMR spectral assignment of 17-hydroxy epimeric sterols with planar A or A and B rings
P. Ciuffreda, S. Casati and A. Manzocchi
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

9 .     compound 1
    相似度:60%
Steroids          1992          57          306-312
Studies on anabolic steroids. 9. Tertiary sulfates of anabolic 17α-methyl steroids: synthesis and rearrangement
Honggang Bi, Robert Massé, George Just
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

10 .     compound A2-10
    相似度:60%
Magnetic Resonance in Chemistry          1998          36          779-796
13C NMR spectroscopy of tri- and tetracyclic quinolizidine alkaloids. Compilation and discussion
B. Mikhova and H. Duddeck
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

11 .     leuconodine D
C19H24N2O     相似度:60%
Journal of Natural Products          2013          76          957-964
Rhazinilam–Leuconolam–Leuconoxine Alkaloids from Leuconotis griffithii
Chew-Yan Gan, Yun-Yee Low, Noel F. Thomas, and Toh-Seok Kam
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

12 .     compound 4
    相似度:60%
Journal of the Korean Society for Applied Biological Chemistry          2011          54          731-737
Synthesis and Evaluation of Succinic Acid Derivatives as Prolyl Endopeptidase Inhibitors
Seung-Bin Yoon, Jae-Sung Yang, Kyung-Ho Lee, Hyeon-Gyu Han, Ah-Reum Han, and Young-Sook Paik*
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

13 .     compound 6(2)
    相似度:57.1%
Tetrahedron Letters          2001          42          4417-4420
On the cycloaddition of arylphosphine oxides with dimethyl acetylenedicarboxylate
György Keglevich, Tamás Körtvélyesi, Henrietta Forintos, Annamária Tamás, Krisztina Ludányi, Vladiszlav Izvekov, László Töke
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

14 .     goniolandrene-A
C23H28O2     相似度:57.1%
Fitoterapia          2013          88          1-6
Goniolandrene A and B from Goniothalamus macrophyllus
Norkamilah Abdullah, Hamidah Sahibul-Anwar, Sharinah Ideris, Tomoyo Hasuda, Yukio Hitotsuyanagi, Koichi Takeya, Marc Diederich, CheeYan Choo
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

15 .     naviculine A
C20H27NO2     相似度:55%
Helvetica Chimica Acta          2008          Vol. 91          1954
Two New C20-Diterpenoid Alkaloids from the Tibetan Medicinal Plant Aconitum naviculare Stapf
Jin-Xin Cao, Liang-Bo Li, Jie Ren, Si-Ping Jiang, Ren-Rong Tian, Xu-Lin Chen, Shu-Lin Peng, Jie Zhang, and Hua-Jie Zhu
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

16 .     7β,13-dihydroxystemodan-2-one
    相似度:55%
Phytochemistry          2005          66          1898-1902
Stemodane and stemarane diterpenoid hydroxylation by Mucor plumbeus and Whetzelinia sclerotiorum
Avril R.M. Chen, Peter L.D. Ruddock, Andrew S. Lamm,William F. Reynolds, Paul B. Reese
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

17 .     compound 15
C19H28ClNO6S     相似度:55%
Journal of Natural Products          2007          70          269-276
Salinosporamides D-J from the Marine Actinomycete Salinispora tropica, Bromosalinosporamide, and Thioester Derivatives Are Potent Inhibitors of the 20S Proteasome
Katherine A. Reed, Rama Rao Manam, Scott S. Mitchell, Jianlin Xu, Sy Teisan, Ta-Hsiang Chao, Gordafaried Deyanat-Yazdi,Saskia T. C. Neuteboom, Kin S. Lam, and Barbara C. M. Potts
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

18 .     1-guaien-11-ol-3-one
C15H24O2     相似度:55%
Journal of Natural Products          2007          70          849-852
Microbial Transformation of (-)-Guaiol and Antibacterial Activity of Its Transformed Products
Muhammad Iqbal Choudhary,Iffat Batool, Muhammad Atif, Samreen Hussain, and Atta-ur-Rahman
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

19 .     ent-2α-hydroxybeyer-15-en-1-one
    相似度:55%
Phytochemistry          1993          32          937-943
Diterpenes from the timber of Erythroxylum australe
Steven M. Ansell, Karl H. Pegel, David A.H. Taylor
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

20 .     pilosanol A
C20H30O4     相似度:55%
Phytochemistry          1991          30          4075-4077
Clerodane diterpenoids from the roots of Portulaca pilosa
Ayumi Ohsaki, Yoshihisa Kasetani, Yukihiro Asaka, Kozo Shibata, Takashi Tokoroyama, Takashi Kubota
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

21 .     compound 21c
C24H37ONS     相似度:55%
Canadian Journal of Chemistry          2007          85          603-618
Efficient preparation of chiral non-racemic sulfur compounds
Joannie Minville, Mélina Girardin, and Claude Spino
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

22 .     compound 33c
C20H36S     相似度:55%
Canadian Journal of Chemistry          2007          85          603-618
Efficient preparation of chiral non-racemic sulfur compounds
Joannie Minville, Mélina Girardin, and Claude Spino
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

23 .     (1r,4r)-N-Butyl-4-(4-octylphenyl)cyclohexanamine
C24H40N     相似度:55%
Bioorganic & Medicinal Chemistry          2012          20          183-194
Design, synthesis and biological activity of sphingosine kinase 2 selective inhibitors
Mithun R. Raje, Kenneth Knott, Yugesh Kharel, Philippe Bissel, Kevin R. Lynch, Webster L. Santos
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

24 .     pyrrhopappolide
C20H26O5     相似度:55%
Phytochemistry          1990          29          3233-3241
C. Zdero,F. Bohlmann,G.M. Mungai
C. Zdero,F. Bohlmann,G.M. Mungai
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

25 .     (-)-(3S,4aS,8aS,2'R,3'S)-2-[3'-Bromo-2'-hydro-xy-4'-phenyl-butyl]-N-tert-butyldecahydro-isoquinoline-3-carboxamide
C24H37BrN2O2     相似度:55%
Bioorganic & Medicinal Chemistry          2008          16          902-908
Stereocontrolled synthesis and biological activity of two diastereoisomers of the potent HIV-1 protease inhibitor saquinavir
Giuliana Righi, Simona Ciambrone,Carlo Bonini and Pietro Campaner
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

26 .     (-)-(3S,4aS,8aS,2'S,3'S)-2-[2',3'-Epoxy-4'-phenyl-butyl]-N-tert-butyldecahydro-isoquinoline-3-carboxamide
C24H36N2O2     相似度:55%
Bioorganic & Medicinal Chemistry          2008          16          902-908
Stereocontrolled synthesis and biological activity of two diastereoisomers of the potent HIV-1 protease inhibitor saquinavir
Giuliana Righi, Simona Ciambrone,Carlo Bonini and Pietro Campaner
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

27 .     (-)-(3S,4aS,8aS,2'S,3'R)-2-[3'-Bromo-2'-hydro-xy-4'-phenyl-butyl]-N-tert-butyldecahydro-isoquinoline-3-carboxamide
C24H37BrN2O2     相似度:55%
Bioorganic & Medicinal Chemistry          2008          16          902-908
Stereocontrolled synthesis and biological activity of two diastereoisomers of the potent HIV-1 protease inhibitor saquinavir
Giuliana Righi, Simona Ciambrone,Carlo Bonini and Pietro Campaner
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

28 .     (-)-(3S,4aS,8aS,2'R,3'R)-2-[3'-Ammino-2'-hydroxy-4'-phenyl-butyl]-N-tert-butyldecahydro-iso-quinoline-3-carboxamide
C24H39N3O2     相似度:55%
Bioorganic & Medicinal Chemistry          2008          16          902-908
Stereocontrolled synthesis and biological activity of two diastereoisomers of the potent HIV-1 protease inhibitor saquinavir
Giuliana Righi, Simona Ciambrone,Carlo Bonini and Pietro Campaner
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

29 .     rel-(1R,6R,7R)-4,4,7-trimethyl-6-(phenylethynyl)-7-(1-methylethenyl)bicyclo[4.2.0]octan-2-one
    相似度:55%
Helvetica Chimica Acta          2010          93          1052-1057
Photocycloaddition of Conjugated Cyclohex-2-enones to 2,3-Dimethylbuta-1,3-diene
Inga Inhülsen, Kerstin Schmidt and Paul Margaretha
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

30 .     Menthyl (R)-2-(4-Ethylphenyl)-2-hydroxybutanoate
C22H34O3     相似度:55%
Helvetica Chimica Acta          2010          93          2015-2022
The Stereoselective Synthesis of 2-Aryl-2-hydroxybutanoic Acid via Menthyl Chiral Auxiliaries
Ji-Ming Xiang and Bao-Lin Li
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

31 .     Smaditerpenic acid A
C20H32O4     相似度:55%
Magnetic Resonance in Chemistry          2008          46          775-779
Structure elucidation and complete NMR spectral assignments of four new diterpenoids from Smallantus sonchifolius (pages 775–779)
De-Qiang Dou, Fang Tian, Ying-Kun Qiu, Ting-Guo Kang and Feng Dong
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

32 .     compound 8
C40H74     相似度:55%
Phytochemistry          1980          19          249-254
Structure of calditol, a new branched-chain nonitol, and of the derived tetraether lipids in thermoacidophile archaebacteria of the Caldariella group
Mario De Rosa, Salvatore De Rosa, Agata Gambacorta, John D. Bu'Lockt
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

33 .     compound 10
    相似度:55%
Phytochemistry          1984          23          2803-2811
An NMR study of the loss of carbon-20 in the biosynthesis of gibberellin A3 by Gibberella fujikuroi
Paul Lewer, Jake MacMillan
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

34 .     portulide A
    相似度:55%
Phytochemistry          1986          25          2414-2416
Clerodane diterpenoids from Portulaca cv jewel
Ayumi Ohsaki, Noriko Ohno, Kozo Shibata, Takashi Tokoroyama, Takashi Kubota
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

35 .     9α-Hydroxytestosterone
    相似度:55%
Steroids          1995          60          337-352
Microbial transformation of steroids: Contribution to 14α-hydroxylations
Shang-hui Hu, Gilles Genain, Robert Azerad
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

36 .     Diethyl 4-aza-androst-16-en-3-on-17-phosphonate
C22H36NPO4     相似度:55%
Steroids          1995          60          791-795
Steroidal alkenylphosphonates via palladium-catalyzed coupling reactions
Rita Skoda-Földes, László Kollár, Judit Horváth, Zoltán Tuba
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

37 .     17β-cyano-17α-hydroxyandrosta-4,9(11)-dien-3-one
    相似度:55%
Steroids          1990          55          109-113
The chemistry of 9α-hydroxysteroids. 3. Methods for selective formation and dehydrations of 17β-cyano-9α,17α-dihydroxyandrost-4-en-3-one
Jacobus N. M. Batist, Nicolaas C. M. E. Barendse, Arthur F. Marx
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

38 .     compound 6(1)
C26H40O5P     相似度:55%
Tetrahedron Letters          2001          42          4417-4420
On the cycloaddition of arylphosphine oxides with dimethyl acetylenedicarboxylate
György Keglevich, Tamás Körtvélyesi, Henrietta Forintos, Annamária Tamás, Krisztina Ludányi, Vladiszlav Izvekov, László Töke
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

39 .     (aS,4aR,8aS)-4-(-Methylbenzyl)-3-oxoperhydrobenzo[1,4]thiazin-4a-(Ncyclohexylcarboxamide)
C23H32N2O2S     相似度:55%
Tetrahedron Letters          2002          43          8591-8593
Synthesis of thiomorpholines by an intramolecular Ugi reaction
Stefano Marcaccini, Roberto Pepino, Tomás Torroba, Daniel Miguel, Marı́a Garcı́a-Valverde
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

40 .     compound 12
C17H28O2     相似度:55%
Tetrahedron Letters          2004          45          1113-1116
Towards an enantiospecific total synthesis of garsubellin A and related phloroglucin natural products: the α-pinene approach
Goverdhan Mehta, Mrinal K. Bera
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

41 .     olefin analog
C19H28O3     相似度:55%
Tetrahedron Letters          1993          34          7689-7692
Egregiachlorides A-C: New chlorinated oxylipins from the marine brown alga Egregia menziesii
James S. Todd, Phillip J. Proteau, William H. Gerwick
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

42 .     9α,17β-Dihydroxyandrost-4-en-3-one
    相似度:55%
Archiv der Pharmazie          2007          340          209-214
Steroid α-Hydroxylation during Testosterone Degradation by Resting Rhodococcus equi Cells
Yong-ung Kim, Jaehong Han, Sang Sup Lee, Kuniyoshi Shimizu, Yuji Tsutsumi and Ryuichiro Kondo
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

43 .     7,15-diisocyano-11(20)-epiamphilectene
    相似度:55%
Tetrahedron letters          1980          21          315-318
New diterpene isocyanides from a sponge
R. Kazlauskas, P.T. Murphy, R.J. Wells, J.F. Blount
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

44 .     4-Chloro-3β-hydroxy-4-androsten-17-one Oxime
C19H27NO2     相似度:55%
Molecules          2011          16          9868-9885
Synthesis and Screening of Aromatase Inhibitory Activity of Substituted C19 Steroidal 17-Oxime Analogs
Muna Pokhrel and Eunsook Ma
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

45 .     4-Azido-3β-hydroxy-4-androsten-17-one Oxime
C19H28N4O2     相似度:55%
Molecules          2011          16          9868-9885
Synthesis and Screening of Aromatase Inhibitory Activity of Substituted C19 Steroidal 17-Oxime Analogs
Muna Pokhrel and Eunsook Ma
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

46 .     dihydro-3-epi-corynantheol methochloride
C20H29N2ClO     相似度:55%
Journal of the Chemical Society, Perkin Transactions 1          1992                   3039-3042
New quaternary Corynanthé alkaloid from Lerchea bracteata
Dayar Arbain, Nordin H. Lajis, Deddi Prima Putra, Melvyn V. Sargent, Brian W. Skelton and Allan H. White
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

47 .     (1S,2E,4S,6R,7E,11Z)-2,7,11-cembratriene-4,6,20-triol
    相似度:55%
Acta Chemica Scandinavica          1993          47          80-88
Tobacco Chemistry. 82. Seven New Cembrane-Derived Compounds from Tobacco.
Eklund, Ann-Marie; Wahlberg, Inger
Structure      13C NMR   碳谱模拟图
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