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[求助]
求助一化合物微谱数据结构
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化合物碳谱数据如下，溶剂是氘代氯仿： 13.9, 19.3, 30.7, 65.7, 67.6, 128.5, 128.5, 128.7, 129.0, 129.2, 131.1, 131.3, 131.9, 132.6, 135.6, 167.6, 167.8 谢谢了！ |
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潘宪伟
木虫 (正式写手)
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- 专业: 药物分析
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感谢参与，应助指数 +1
yjl2007: 金币+30 2013-01-10 10:18:30
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yjl2007: 金币+30 2013-01-10 10:18:30
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查询结果：共查到1412个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . spatozoate 相似度:100% The Journal of Antibiotics 2011 64 205-209 Glucopiericidin C: a cytotoxic piericidin glucoside antibiotic produced by a marine Streptomyces isolate Khaled A Shaaban, Elisabeth Helmke, Gerhard Kelter, Heinz Herbert Fiebig and Hartmut Laatsch Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . Asiaticin C19H20O4 相似度:94.1% 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 -------------------------------------------------------------------------------- 3 . spatozoate C19H20O4 相似度:89.4% 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 -------------------------------------------------------------------------------- 4 . E-2,3-diphenylpropenoate C19H20O2 相似度:76.4% Molecules 2004 9 256-263 Preparation of New 2, 3-Diphenylpropenoic Acid Esters – Good Yields Even for the More Hindered Z Isomers László Boros, Károly Felföldi and István Pálinkó Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . phthalic acid 1-ethyl ester 2-(2-oxo-2-phenylethyl) ester C19H18O5 相似度:76.4% Heterocycles 2006 68 1845-1859 3-Benzoyl-4-hydroxyisochromen-1-one Derivatives, Their Synthesis and Synthetic Application Pavel Hradil,* Radek Melnicky, Martin Grepl, Kamil Koristek, Jan Hlavac, and Valerio Bertolasi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . (S)-Valic Acid 2-Naphthacyl Ester C17H18O4 相似度:70.5% Journal of Natural Products 2012 75 425−431 Symplocin A, a Linear Peptide from the Bahamian Cyanobacterium Symploca sp. Configurational Analysis of N,N-Dimethylamino Acids by Chiral-Phase HPLC of Naphthacyl Esters Tadeusz F. Molinski,Kirk A. Reynolds,and Brandon I. Morinaka Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . phthalic acid 1-ethyl ester 2-(2-oxo-2-p-tolylethyl) ester C19H18O5 相似度:70.5% Heterocycles 2006 68 1845-1859 3-Benzoyl-4-hydroxyisochromen-1-one Derivatives, Their Synthesis and Synthetic Application Pavel Hradil,* Radek Melnicky, Martin Grepl, Kamil Koristek, Jan Hlavac, and Valerio Bertolasi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . Imidazol-2-yl-methyl(N-butylamino)diphenylphosphine oxide C20H24N3OP 相似度:70.5% Tetrahedron 2012 68 1223-1229 Preparation of new imidazol-2-yl-(amino)methylphosphonates, phosphinates and phosphine oxides and their unexpected cleavage under acidic conditions Bogdan Boduszek, Tomasz K. Olszewski, Waldemar Goldeman, Kamila Grzegolec, Patrycja Blazejewska Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . compound 8 C17H14Cl2N2O5 相似度:70.5% Tetrahedron 2012 68 6198-6203 Aminochlorination reaction with N-chlorophthalimide as a new nitrogen/chlorine source resulting in α-amino derivatives Yu Qian, Xiaoyun Ji, Wei Zhou, Jianlin Han, Guigen Li, Yi Pan Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . diethyl 2-[(1S,2E)-1,3-bis(4-chlorophenyl)-2-propen-1-yl]malonate C22H22Cl2O4 相似度:66.6% Tetrahedron 2012 68 3641-3648 Synthesis of novel tricyclic and tetracyclic sultone scaffolds via intramolecular 1,3-dipolar cycloaddition reactions Mehdi Ghandi, Abuzar Taheri, Abolfazl Hasani Bozcheloei, Alireza Abbasi, Reza Kia Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . (R)-2-(naphthalen-2-yl)-2-oxoethyl 3-((1S,2R)-2-chlorocyclopropyl)-3-hydroxypropanoate C18H17ClO4 相似度:66.6% Journal of the American Chemical Society 2009 131 7552-7553 A Tetrachloro Polyketide Hexahydro-1H-isoindolone, Muironolide A, from the Marine Sponge Phorbas sp. Natural Products at the Nanomole Scale Doralyn S. Dalisay, Brandon I. Morinaka, Colin K. Skepper and Tadeusz F. Molinski Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . (S)-2-(naphthalen-2-yl)-2-oxoethyl 3-((1R,2S)-2-chlorocyclopropyl)-3-hydroxypropanoate C18H17ClO4 相似度:66.6% Journal of the American Chemical Society 2009 131 7552-7553 A Tetrachloro Polyketide Hexahydro-1H-isoindolone, Muironolide A, from the Marine Sponge Phorbas sp. Natural Products at the Nanomole Scale Doralyn S. Dalisay, Brandon I. Morinaka, Colin K. Skepper and Tadeusz F. Molinski Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . allyl E-2,3-diphenylpropenoate C18H16O2 相似度:64.7% Molecules 2004 9 256-263 Preparation of New 2, 3-Diphenylpropenoic Acid Esters – Good Yields Even for the More Hindered Z Isomers László Boros, Károly Felföldi and István Pálinkó Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . 2,3'-Dimethoxycarbonyl-1,1'-biphenyl C16H14O4 相似度:64.7% Canadian Journal of Chemistry 2005 83 741-747 Palladium-catalysed synthesis of nonsymmetrically disubstituted-1, 1'-biphenyls from o-substituted aryl iodides through aryl coupling and delayed hydrogenolysis1 Sara Deledda, Elena Motti, and Marta Catellani Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . N-Benzoylamino(4-fluorophenyl)methyl benzamide C21H17FN2O2 相似度:64.7% Canadian Journal of Chemistry 2011 89 555–561 Silica-supported barium chloride (SiO2–BaCl2) —Efficient and heterogeneous catalyst for the environmentally friendly preparation of N, N'-alkylidene bisamides under solvent-free conditions Mohammad Reza Mohammad Shafiee Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . n-butyl phthalate 相似度:64.7% Marine drugs 2009 7 341-354 A Marine Sulfate-Reducing Bacterium Producing Multiple Antibiotics: Biological and Chemical Investigation Yi Zhang,Jun Mu,Xiaojie Gu,Chenyan Zhao,Xiaoliang Wang and Zeping Xie Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . benzyl phthalate C15H12O4 相似度:64.7% Chemical & Pharmaceutical Bulletin 2009 57 1167-1170 One-Step Transformation of Tetrahydropyranyl Ethers Using Indium(III) Triflate as the Catalyst Tomoko Mineno, Nana Nikaido and Hisao Kansui Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . 7-chloro-5-(p-chlorophenyl)-1-ethyl-3H-[1,4]benzodiazepin-2-one C17H14Cl2N2O 相似度:64.7% Journal of Heterocyclic Chemistry 2002 39 1189-1193 Synthesis and spectral properties of 7-chloro-5-[(o- and p-R1)phenyl]-1-R2-3H-[1,4]benzodiazepin-2-ones Eduardo Cortés Cortés, Isidro Ebromares Martínez and Olivia García Mellado Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . dimethyl 6'-(azidomethyl)biphenyl-2,3'-dicarboxylate 相似度:64.7% Heterocycles 2010 80 669-677 A Concise Synthesis of 6,7-Dihydro-5H-dibenz[c,e]azepin-5-one Young-Hyoung Goh, Guncheol Kim, Bum Tae Kim, and Jung-Nyoung Heo Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . phthalic acid 1-[2-(4-amino-3,5-dichlorophenyl)-2-oxoethyl] ester 2-ethyl ester C15H15O5NCl2 相似度:64.7% Heterocycles 2006 68 1845-1859 3-Benzoyl-4-hydroxyisochromen-1-one Derivatives, Their Synthesis and Synthetic Application Pavel Hradil,* Radek Melnicky, Martin Grepl, Kamil Koristek, Jan Hlavac, and Valerio Bertolasi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 21 . methyl 1-(2,6-dichlorophenyl)-3,8-hydroxy-1,3,8,8a-tetrahydroazirino[1,2-b]isoquinoline-8a-carbo-xylate C18H15NO4Cl2 相似度:64.7% Heterocycles 2005 65 1329-1345 Synthesis of 1,3,8,8a-Tetrahydro-3,8-epoxyazirino[1,2-b]isoquinolines and Their Reactions with Oxygen Nucleophiles M. José Alves, * Nuno G. Azoia, and A. Gil Fortes Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 22 . Methyl 2-methoxy-3,6-bis(phenylthio)benzoate C21H19O3S2 相似度:64.7% Tetrahedron 2012 68 584-589 Theoretical and experimental study on the reactivity of methyl dichlorobenzoates with sulfur-centered nucleophiles by electron transfer reactions Jorge G. Uranga, Juan P. Montañez, Ana N. Santiago Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 23 . 3-[(1E,3E)-4-(4-chlorophenyl)buta-1,3-dienyl]-2H-chromene C19H15ClO 相似度:64.7% Bioorganic & Medicinal Chemistry 2010 18 6480-6488 New 4H-chromen-4-one and 2H-chromene derivatives as anti-picornavirus capsid-binders Cinzia Conti, Nicoletta Desideri Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 24 . 6-chloro-3-[(1E,3E)-4-(4-chlorophenyl)buta-1,3-dienyl]-2H-chromene C19H14Cl2O 相似度:64.7% Bioorganic & Medicinal Chemistry 2010 18 6480-6488 New 4H-chromen-4-one and 2H-chromene derivatives as anti-picornavirus capsid-binders Cinzia Conti, Nicoletta Desideri Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 25 . (Z)-3-(butylamino)-3-oxo-1-phenylprop-1-en-2-yl 2-phenylacetate C21H23NO3 相似度:64.7% Molecules 2011 16 8775-8787 Divergent Synthesis of Novel Five-Membered Heterocyclic Compounds by Base-Mediated Rearrangement of Acrylamides Derived from a Novel Isocyanide-Based Multicomponent Reaction Andrea Basso, Luca Banfi and Renata Riva Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 26 . (Z)-N-hydroxy-2-(5-naphthalen-2-ylmethylene-2,4-dioxothiazolidin-3-yl)acetamide C16H12N2O4S 相似度:64.7% Bioorganic & Medicinal Chemistry 2008 16 5840-5852 Synthesis, induced-fit docking investigations, and in vitro aldose reductase inhibitory activity of non-carboxylic acid containing 2,4-thiazolidinedione derivatives Rosanna Maccari, Rosaria Ottanà, Rosella Ciurleo, Dietmar Rakowitz, Barbara Matuszczak, Christian Laggner, Thierry Langer Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 27 . compound 2a C19H14O3 相似度:64.7% Indian Journal of Chemistry 2011 50B 593-604 Solvent free synthesis, spectral studies and antioxidant activities of some 6-substituted w-bromo-2-naphthyl ketones and their esters Thirunarayanan, G; Vanangamudi, G; Sathiyendran, V; Ravi, K Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 28 . (S)-dimethyl 2-[(E)-1,3-bis(4-chlorophenyl)prop-2-en-1-yl]malonate 相似度:64.7% European Journal of Organic Chemistry 2011 786-793 Synthesis and Application of Diphenyl Sulfide Linked Bis(imidazoline) Ligands: Dramatic Electronic Effect of Ligands on Catalytic Behavior Xian Du, Han Liu and Da-Ming Du Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 29 . (3S)-2-benzyl-3-(methylcarbamoyl)-1,2,3,4-tetrahydroisoquinoline 2-oxide C18H20N2O2 相似度:64.7% European Journal of Organic Chemistry 2011 6923-6932 Tetrahydroisoquinoline-Based N-Oxides as Chiral Organocatalysts for the Asymmetric Allylation of Aldehydes Tricia Naicker, Per I. Arvidsson, Hendrik G. Kruger, Glenn E. M. Maguire and Thavendran Govender Structure 13C NMR 碳谱模拟图 |
2楼2013-01-10 09:26:17