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[求助]
求助3个化合物的微谱数据
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化合物一：171.963,169.690,169.556,74.622,65.967,63.764,52.451,22.509,20.867,20.820,20.788,20.706 化合物二： 169.861,69.782,67.189,59.903,55.355,44.200,29.648,21.498,20.793,20.745,20.711 化合物三： 171.677,,150.811,24.949 精确查询，麻烦各位高手了，小弟刚入门，不懂的还希望各位教教我啊, |
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yaolan123
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2楼2013-05-23 13:52:44
yaolan123
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化合物2精确查询无数据 模糊查询结果 1 . compound 5b(minorr isomer 1) C16H21NO3 相似度:63.6% Heterocycles 2008 75 2429-2441 Aldolisation and Carboxylation Reactions from α-Silyl-β-lactams. A Combined Theoretical and Experimental Study Sabrina Parat, Béatrice Pelotier, Lycia Fournier, Michel Rajzmann, Philip J. Kocienski, and Jean-Marc Pons Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . compound 20 相似度:63.6% Tetrahedron Letters 2001 42 6797-6801 Novel and convenient method for the syntheses of 2,6-dideoxypyranoses, 3,6-dideoxypyranoses, and azido (amino) analogs of 3,6-dideoxypyranoses Cheng-Wei Tom Chang, Terri Clark, Mumbi Ngaara Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . methyl 3,4-di-O-acetyl-2,6-dideoxy-α-L-lyxohexopyranoside 相似度:63.6% The Journal of Antibiotics 1981 34 1019-1025 NEW ADRIAMYCIN ANALOGS SYNTHESIS AND ANTITUMOR ACTIVITY OF 14-SUBSTITUTED 7-O-(3, 4-DI-O-ACETYL-2, 6-DIDEOXY-α-L-lyxo- HEXOPYRANOSYL)DAUNOMYCINONES DEREK HORTON, WALDEMAR PRIEBE Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . [4R*,5R*,6S*]-1,7-Dioxaspiro[5.5]undec-4,5-diyl diacetate C13H20O6 相似度:61.5% Molecules 1997 2 M21 [4R*, 5R*, 6S*]-1, 7-Dioxaspiro[5.5]undec-4, 5-diyl Diacetate Margaret A. Brimble and Andrew D. Johnston Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . compound 5 C13H19IO8 相似度:61.5% Heterocycles 2010 81 2569-2580 Convertible Formation of Different Glycoside Using Molecular Iodine Rungnapha Saeeng, Uthaiwan Sirion, Yada Sirichan, Thanida Trakulsujaritchok, and Poolsak Sahakitpichan Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . compound 14 C12H17IO8 相似度:58.3% Heterocycles 2010 81 2569-2580 Convertible Formation of Different Glycoside Using Molecular Iodine Rungnapha Saeeng, Uthaiwan Sirion, Yada Sirichan, Thanida Trakulsujaritchok, and Poolsak Sahakitpichan Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . 1,3,4,6-tetra-O-acetyl-2-deoxy-5a-carba-α-Dlallopyranose C15H22O8 相似度:58.3% Tetrahedron Letters 2001 42 7041-7043 Synthesis of new 2- or 3-deoxy carbapyranoses from furan Odón Arjona, Gema Lorenzo, Rocı́o Medel, Joaquı́n Plumet Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . 3,3,7,7-tetramethyl-5-oxa-1,2:8,9-diepoxynonan-4-one 相似度:58.3% Russian Journal of Organic Chemistry 2001 37 695-699 Geminal Dimethyl-Substituted Functionalized C4-Synthons from Pantolactone F. A. Akbutina, I. F. Sadretdinov, E. V. Vasil'eva and M. S. Miftakhov Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . compound 3b 相似度:58.3% Organic Magnetic Resonance 1984 22 738-740 1H and 13 NMR data of 1,2-epoxymenthane derivatives Eszter Gács-Baitz, György Kalaus and Péter Györy Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . 2,3,4,5-Tetra-O-acetyl-1-azido-1-deoxy-D-mannitol C14H21O9N3 相似度:57.1% Chemical & Pharmaceutical Bulletin 2011 59(10) 1307-1310 Synthesis of New Galβ1→4Fuc Segments Useful for Biological Investigations Kazusa NISHIYAMA, Atsushi YAMADA, Tomoharu TAKEUCHI, Yoichiro ARATA, Ken-ichi KASAI, Tetsuta OSHITARI, Hideaki NATSUGARI, and Hideyo TAKAHASHI Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . Compound 2 相似度:57.1% Phytochemical Analysis 1991 2 120-124 Unambiguous nuclear magnetic resonance assignments for swainsonine, an indolizidine alkaloid with -mannosidase inhibitory activity Leonardus B. S. Kardono, A. Douglas Kinghorn and Russell J. Molyneux Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . N-(3,4,6-Tri-O-acetyl-2-deoxy-2-iodo-α-D-talopyranosyl)-succinimide C16H20INO9 相似度:57.1% Bioorganic & Medicinal Chemistry 1994 2 1281-1294 Synthesis and structural studies of asparagine-modified 2-deoxy-α-N-glycopeptides associated with the renin-Angiotensin system Lothar Laupichle, Carsten Endres Sowa, Joachim Thiem Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . rel- (1R,2R,3R,4S,6S)-p-menthane-1,2,3,6-tetrol C10H20O4 相似度:54.5% Helvetica Chimica Acta 2006 Vol. 89 558 Terpenoids from Eupatorium fortunei TURCZ Hai-Xia Jiang, Ya Li, Jing Pan, and Kun Gao Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . acetylation of parasitenone C11H12O6 相似度:54.5% Journal of Natural Products 2002 65 794-795 Parasitenone, a New Epoxycyclohexenone Related to Gabosine from the Marine-Derived Fungus Aspergillus parasiticus Byeng Wha Son,Jin Seok Choi, Jung Chul Kim, Ki Wan Nam, Dong-Soo Kim, Hae Young Chung,Jung Sook Kang, and Hong Dae Choi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . compound 4a 相似度:54.5% Planta Medica 1991 57 450-453 Acetylenes and Other Constituents from Artemisia dracunculus J. Jakupovic,R. X. Tan, F. Bohlmann, Z. J. Jia, and S. Huneck Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . 2-triacetate 相似度:54.5% Chemical & Pharmaceutical Bulletin 1993 41 1667-1669 New Monoterpenoid and Hemiterpenoid Tetraol of the Crude Drug "She chuang zi" Junichi KITAJIMA and Yasuko TANAKA Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . (1S*,2S*,3S*,4R*,6R*)-1,2,3,6-tetrahydroxy-P-menthane C10H19O4 相似度:54.5% Chinese Chemical Letters 2005 16 1217-1219 Highly Oxygenated Monoterpenes from Eupatorium fortunei Hal XiaⅡANG Kun GAO Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . Methyl-4,6-di-O-acetyl-2,3-dideoxy-D-threo-hexopyranoside 相似度:54.5% Molecules 2005 10 871-883 Towards a Synthesis of Vigabatrin Using Glycal Chemistry S. Boga, J. Aidhen and I. Aidhen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . 1-butyl-3-chloro-4-phenylazetidin-2-one C13H16NOCI 相似度:54.5% Journal of Heterocyclic Chemistry 2006 43 11-19 Aziridines as templates: A general strategy for the stereospecific synthesis of 2-azetidinones S. D. Sharma,Seema Kanwar and Shivani Rajpoot Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . 2-methyltetrahydropyran 相似度:54.5% Journal of Heterocyclic Chemistry 2000 37 1351-1353 Ring opening of cyclic ethers by sulfuric acid - acetic anhydride Yasuhiro Tanoue, Moritsugu Hamada, Norihisa Kai, Takeshi Nagai, Kazunori Sakata, Mamoru Hashimoto and Shin-Ichi Morishita Structure 13C NMR 碳谱模拟图 |
3楼2013-05-23 13:55:04
4楼2013-05-23 13:55:09
yaolan123
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5楼2013-05-23 13:56:51
yaolan123
禁虫 (职业作家)
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【答案】应助回帖
★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
神的儿子2012(豆哥代发): 金币+15, 谢谢 2013-05-29 14:37:49
神的儿子2012(豆哥代发): 金币+15, 谢谢 2013-05-29 14:37:49
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化合物1精确无结果 模糊结果 查询结果：共查到143个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . compound 相似度:66.6% Tetrahedron 1994 50 4973-4986 Hosenkosides A, B, C, D, and E, novel baccharane glycosides from the seeds of Impatiens balsamina Noboru Shoji, Akemi Umeyama, Nobuaki Saitou, Kazuko Yoshikawa, Yukiko Kan, Shigenobu Arihara Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . 1,2,3,4,6-penta-O-acetyl-5-acetylamino-5-deoxy-neo-inositol C18H25NO11 相似度:66.6% European Journal of Organic Chemistry 2010 755-764 Intramolecular Hydrogen Abstraction in Radicals Derived from Inositol 1,3-Acetals: Efficient Access to Cyclitols Chebrolu Murali, Bharat P. Gurale and Mysore S. Shashidhar Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . compound 12 相似度:66.6% Journal of Medicinal Chemistry 1990 33 1353-1360 Stereospecific synthesis and antiviral properties of different enantiomerically pure carbocyclic 2'-deoxyribonucleoside analogs derived from common chiral pools: (+)-(1R,5S)- and (-)-(1S,5R)-2-oxabicyclo[3.3.0]oct-6-en-3-one J. Beres, G. Sagi, I. Tomoskozi, L. Gruber, E. Baitz-Gacs, L. Otvos, E. De Clercq Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . N-(3,4,6-Tri-O-acetyl-2-deoxy-2-iodo-α-D-talopyranosyl)-succinimide C16H20INO9 相似度:64.2% Bioorganic & Medicinal Chemistry 1994 2 1281-1294 Synthesis and structural studies of asparagine-modified 2-deoxy-α-N-glycopeptides associated with the renin-Angiotensin system Lothar Laupichle, Carsten Endres Sowa, Joachim Thiem Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . (2-endo-acetoxy-7,7-dimethylbicyclo[2.2.1]hept-1-yl)methylacetate C14H22O4 相似度:64.2% Russian Journal of Organic Chemistry 2003 39 1076-1082 Reactions of Epoxides Prepared from Some Monoterpenes with Acetic Anhydride on Aluminosilicate Catalysts L. E. Tatarova, D. V. Korchagina, K. P. Volcho, N. F. Salakhutdinov and V. A. Barkhash Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . 1-tetraacetate 相似度:61.5% Chemical & Pharmaceutical Bulletin 1998 46 1583-1586 New Hemiterpenoid Pentol and Monoterpenoid Glycoside of Torillis japonica Fruit, and Consideration of the Origin of Apiose Junichi KITAJIMA,Nobuyuki SUZUKI,Toru ISHIKAWA and Yasuo TANAKA Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . compound 10 C13H18O9 相似度:61.5% Tetrahedron Letters 2004 45 175-178 A novel stereoselective carbon-chain extension reaction at the C-6 position of 1,6-anhydropyranose Toshio Nishikawa, Yohei Mishima, Norio Ohyabu, Minoru Isobe Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . 2-Amino-3,4,6-tri-O-acetyl-D-arabino-2-hexulofuranosons¨auremethylester C13H19NO9 相似度:61.5% Zeitschrift für Naturforschung B 2005 60 1168-1174 Synthesis of Furanoid Sugar Amino Acids Starting from Fermentatively Produced 2-Oxo-D-gluconic Acid (In German) S. Schmidt, H. Wildea, J. Hungerb, and D. Sicker Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . compound 43 C14H21NO6 相似度:61.5% Tetrahedron 1999 55 8931-8952 Asymmetric routes to azasugars from chiral bicyclic lactams. Synthesis of 1,4-dideoxy-1,4-imino-D-lyxitol; L-deoxymannojirimycin; rhammo-1-deoxynojirimycin and 1-deoxy-6-epicastanospermine A.I Meyers, Charles J Andres, James E Resek, Charlotte C Woodall, Maureen A McLaughlin, Peter H Lee, David A Price Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . 2,3,4,5-tetra-O-acetyl-6-deoxy-L-mannose C14H20O9 相似度:61.5% Tetrahedron 2001 57 47-53 Application of molecular mechanics in the total stereochemical elucidation of spicigerolide, a cytotoxic 6-tetraacetyloxyheptenyl-5,6-dihydro-α-pyrone from Hyptis spicigera Rogelio Pereda-Miranda, Mabel Fragoso-Serrano, Carlos M Cerda-Garcı́a-Rojas Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . iso-Propyl 4,6-di-O-acetyl-2,3-dideoxy-α-D-erythro-hex-2-enopyranoside 相似度:61.5% Tetrahedron 2012 68 8645-8654 Stereoselective synthesis of pseudoglycosides catalyzed by TeCl4 under mild conditions Juliano C.R. Freitas, Túlio R. Couto, Antônio A.S. Paulino, João R. de Freitas Filho, Ivani Malvestiti, Roberta A. Oliveira, Paulo H. Menezes Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . iso-Propyl 4,6-di-O-acetyl-2,3-dideoxy-α-D-erythro-hex-2-enopyranoside 相似度:61.5% Tetrahedron 2012 68 10611-10620 Stereoselective synthesis of pseudoglycosides catalyzed by TeCl4 under mild conditions Juliano C.R. Freitas, Túlio R. Couto, Antônio A.S. Paulino, João R. de Freitas Filho, Ivani Malvestiti, Roberta A. Oliveira, Paulo H. Menezes Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . 5-Acetamido-2-O-acetyl-3,5-dideoxy-D-glycero-D-galactononulopyranosic acid C13H21NO10Si 相似度:61.5% Organic & Biomolecular Chemistry 2012 10 529-535 Synthesis of the complete series of mono acetates of N-acetyl-D-neuraminic acid Paul A. Clarke, Nimesh Mistry and Gavin H. Thomas Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . australine tetraacetate C16H23NO8 相似度:60% Journal of Natural Products 1988 Vol 51 1198 Australine, a Novel Pyrrolizidine Alkaloid Glucosidase Inhibitor from Castanospermum australe Russell J. Molyneux, Mabry Benson, Rosalind Y. Wong, Joseph E. Tropea, Alan D. Elbein Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . 2-triacetate 相似度:58.3% Chemical & Pharmaceutical Bulletin 1993 41 1667-1669 New Monoterpenoid and Hemiterpenoid Tetraol of the Crude Drug "She chuang zi" Junichi KITAJIMA and Yasuko TANAKA Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . Methyl-4,6-di-O-acetyl-2,3-dideoxy-D-erythro-hexopyranoside 相似度:58.3% Molecules 2005 10 871-883 Towards a Synthesis of Vigabatrin Using Glycal Chemistry S. Boga, J. Aidhen and I. Aidhen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . Methyl-4,6-di-O-acetyl-2,3-dideoxy-D-threo-hexopyranoside 相似度:58.3% Molecules 2005 10 871-883 Towards a Synthesis of Vigabatrin Using Glycal Chemistry S. Boga, J. Aidhen and I. Aidhen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . 1-Azido-tri-O-acetylribose 相似度:58.3% Bioorganic & Medicinal Chemistry Letters 2007 17 6656-6659 Efficient synthesis and in vitro cytostatic activity of 4-substituted triazolyl-nucleosides Khalid El Akri, Khalid Bougrin, Jan Balzarini, Abdesslem Faraj, Rachid Benhida Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . (2S,4R)-4-Acetoxy-2-(acetoxymethyl)-N-acetylpyrrolidine C11H17NO5 相似度:58.3% European Journal of Organic Chemistry 2012 837-843 New Optically Active 4-Alkoxyprolinol Ethers Derived from trans-4-Hydroxy-L-proline Nora M. Friedemann, Astrid Eustergerling and Udo Nubbemeyer Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . compound 12 相似度:58.3% Journal of the Chinese Chemical Society 2001 48 821-826 Ceramides from the Taiwan Red Alga Ceratodictyon spongiosum and Symbiotic Sponge Sigmadocia symbiotica Jir-Mehng Lo, Wei-Lung Wang,Young-Meng Chiang and Chiu-Ming Chen* Structure 13C NMR 碳谱模拟图 |
6楼2013-05-23 13:57:14
yaolan123
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【答案】应助回帖
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化合物3模糊查询 查询结果：共查到4个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . L-Cysteine 相似度:66.6% Magnetic Resonance in Chemistry 2005 43 543-550 Complexes of diphenylarsinic acid and phenylarsonic acid with thiols: a 1H and 13C NMR study Takashi Nakayama, Tomohiko Isobe, Kunichika Nakamiya, John S. Edmonds, Yasuyuki Shibata and Masatoshi Morita Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . Pyridine-4-carbonyl azide 相似度:50% Journal of Heterocyclic Chemistry 2005 42 259-264 Nitropyridyl isocyanates Jarle Holt,Trygve Andreassen,Jan M. Bakke and Anne Fiksdahl Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . tetrahydrofuran 相似度:50% Journal of Heterocyclic Chemistry 2000 37 1351-1353 Ring opening of cyclic ethers by sulfuric acid - acetic anhydride Yasuhiro Tanoue, Moritsugu Hamada, Norihisa Kai, Takeshi Nagai, Kazunori Sakata, Mamoru Hashimoto and Shin-Ichi Morishita Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . Compound 4 相似度:50% Magnetic Resonance in Chemistry 2008 46 170-173 Substituent effects on 13C chemical shifts of alkyl-substituted 4-oxo-1, 3-dioxolanes and 5-oxo-1, 3-oxathiolanes (pages 170–173) Kalevi Pihlaja, Kyllikki Rossi and Timo Nurmi Structure 13C NMR 碳谱模拟图 |
7楼2013-05-23 13:58:04
