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微谱数据求助已有1人参与
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12.9, 13.1, 20.1, 24.1, 25.3, 26.0, 27.2, 28.1, 28.4, 31.0, 35.3, 38.5, 42.7, 46.7, 74.4, 80.3, 80.7, 83.1, 117.9, 136.9 谢谢，溶剂CDCl3 |
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【答案】应助回帖
★ ★ ★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
coffeecoffee: 金币+8, ★★★★★最佳答案, 谢谢 2014-03-08 21:44:39
感谢参与，应助指数 +1
coffeecoffee: 金币+8, ★★★★★最佳答案, 谢谢 2014-03-08 21:44:39
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查询结果：共查到547个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . 17β-acetoxy-5α-androstane 相似度:66.6% Phytochemistry 1993 33 831-834 The biotransformation of some steroids by Cephalosporium aphidicola James R. Hanson, Habib Nasir Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . 5α-Androstan-17β-yl acetate C21H34O2 相似度:66.6% Organic Magnetic Resonance 1977 9 439-464 13C n.m.r. spectra of steroids —a survey and commentary J. W. Blunt and J. B. Stothers Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . plakortolide C C23H34O4 相似度:61.9% Journal of Natural Products 1994 Vol 57 1374 New Cytotoxic Peroxylactones from the Marine Sponge, Plakinastrella onkodes Paul A. Horton, Ross E. Longley, Michelle Kelly-Borges, Oliver J. McConnell, Larry M. Ballas Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . [1S-[1α,2α(Z),3α,4α]]-7-[3-[[[[(1-oxoheptyl)amino]acetyl]amino]methyl]-7-oxabicyclo[2.2.1]hept-2-yl]-5-heptenoic acid C23H38O6N2 相似度:60.8% Journal of Medicinal Chemistry 1990 33 2465-2476 7-Oxabicyclo[2.2.1]heptyl carboxylic acids as thromboxane A2 antagonists: aza .omega.-chain analogs Masami Nakane, Joyce A. Reid, Wen Ching Han, Jagabandhu Das, Vu Chi Truc, Martin F. Haslanger, Dianne Garber, Don N. Harris, Anders Hedberg, Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . Compound 11 相似度:60% Bioorganic & Medicinal Chemistry Letters 2006 16 1227-1230 Antiangiogenic activity of deoxoartemisinin derivatives on chorioallantoic membrane Mankil Jung, Jungae Tak, Won-Yoon Chung, Kwang-Kyun Park Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . compound Ia 相似度:60% Steroids 1983 41 493-500 Metabolism of 17α-methyl-5β-dihydrotestosterone in the rabbit John F. Templeton, Chung-Ja Choi Jackson Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . liguloxidol 相似度:60% Pharmazie 2003 58 349-352 Sesquiterpenes from roots of Lingularia veitchiana Ying Wang - Cheng-Shan Yuan - Yi-Feng Han - Zhong-Jian Jia Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . compound 15 C37H61O11P 相似度:60% Bioorganic & Medicinal Chemistry 2009 17 1325-1338 Synthesis and biological evaluation of extraordinarily potent C-10 carba artemisinin dimers against P. falciparum malaria parasites and HL-60 cancer cells James Chadwick, Amy E. Mercer, B. Kevin Park, Richard Cosstick, Paul M. O’Neill Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . pestaloficiol C C17H26O6 相似度:60% Bioorganic & Medicinal Chemistry 2008 16 6021-6026 Pestaloficiols A–E, bioactive cyclopropane derivatives from the plant endophytic fungus Pestalotiopsis fici Ling Liu, Renrong Tian, Shuchun Liu, Xulin Chen, Liangdong Guo, Yongsheng Che Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . 5α-Androstan-17β-ol C19H32O 相似度:60% Organic Magnetic Resonance 1977 9 439-464 13C n.m.r. spectra of steroids —a survey and commentary J. W. Blunt and J. B. Stothers Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . 5α-Androstan-17β-ol C19H32O 相似度:60% Organic Magnetic Resonance 1977 9 439-464 13C n.m.r. spectra of steroids —a survey and commentary J. W. Blunt and J. B. Stothers Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . compound 10 C20H34O2 相似度:60% Australian Journal of Chemistry 1983 36 1187-1196 The chemistry of Eremophila spp. XIX. New cembrane diterpenes from E. granitica and E. abietina EL Ghisalberti, PR Jefferies, TA Mori, VA Patrick and AH White Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . 2-Amino-3-oxo-17β-acetoxy-5α-androstan-1-ene C21H31NO3 相似度:59.0% Journal of Natural Products 2012 75 1063-1069 The Cephalostatins. 22. Synthesis of Bis-steroidal Pyrazine Pyrones George R. Pettit, Bryan R. Moser, Ricardo F. Mendonça, John C. Knight, and Fiona Hogan Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . 5α-Androstane-17β-yl-2'-methyl-1H-imidazole-1-carboxylate C24H36N2O2 相似度:58.3% Steroids 2008 73 1217-1227 Synthesis of novel C17 steroidal carbamates: Studies on CYP17 action, androgen receptor binding and function, and prostate cancer cell growth Vania M.A. Moreira, Tadas S. Vasaitis, Zhiyong Guo, Vincent C.O. Njar, Jorge A.R. Salvador Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . 5β-pregnane 相似度:57.1% Journal of Natural Products 1991 Vol 54 1651 Verrucoside, a New Cytotoxic Pregnane Glycoside from a Gorgonian Eunicella verrucosa Y. Kashman, D. Green, C. Garcia, D. Garcia Arevalos Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . Pregna-16-en-20-yne 相似度:57.1% Steroids 1995 60 812-816 Palladium-catalyzed homogeneous coupling reactions of steroids with organostannanes Rita Skoda-Földes, Zita Csákai, Lászlo Kollár, Judit Horváth, Zoltán Tuba Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . methyl (9S,10S,12S,13S)-10-acetoxy-9,12-epoxy-13-hydroxyoctadecanoate C21H38O6 相似度:57.1% Tetrahedron 1998 54 2227-2242 Marine nematocides: Tetrahydrofurans from a southern Australian brown alga, Notheia anomala Robert J. Capon, Russell A Barrow, Simone Rochfort, Michael Jobling, Colin Skene, Ernest Lacey, Jennifer H Gill, Thomas Friedel, David Wadsworth Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . methyl (9R,10R,12S,13S)-10-acetoxy-9,12-epoxy-13-hydroxyoctadecanoate 相似度:57.1% Tetrahedron 1998 54 2227-2242 Marine nematocides: Tetrahydrofurans from a southern Australian brown alga, Notheia anomala Robert J. Capon, Russell A Barrow, Simone Rochfort, Michael Jobling, Colin Skene, Ernest Lacey, Jennifer H Gill, Thomas Friedel, David Wadsworth Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . methyl (9R,10R,12S,13S)-12-acetoxy-10,13-epoxy-9-hydroxyoctadecanonate C21H38O6 相似度:57.1% Tetrahedron 1998 54 2227-2242 Marine nematocides: Tetrahydrofurans from a southern Australian brown alga, Notheia anomala Robert J. Capon, Russell A Barrow, Simone Rochfort, Michael Jobling, Colin Skene, Ernest Lacey, Jennifer H Gill, Thomas Friedel, David Wadsworth Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . (2α,3α,5α,20R)-2,3-epoxypregnan-20-ol C21H34O2 相似度:57.1% Steroids 2012 77 1403-1418 Solid-phase chemical synthesis and in vitro biological evaluation of novel 2β-piperazino-(20R)-5α-pregnane-3α,20-diol N-derivatives as anti-leukemic agents Hajer Jegham, René Maltais, Philippe Dufour, Jenny Roy, Donald Poirier Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 21 . 2α,3-Epoxy-5a-androstan-17β-yl acetate C21H32O3 相似度:57.1% Organic Magnetic Resonance 1977 9 439-464 13C n.m.r. spectra of steroids —a survey and commentary J. W. Blunt and J. B. Stothers Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 22 . 2β,3-Epoxy-5α-androstan-17β-yl acetate C21H32O3 相似度:57.1% Organic Magnetic Resonance 1977 9 439-464 13C n.m.r. spectra of steroids —a survey and commentary J. W. Blunt and J. B. Stothers Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 23 . 5α-Pregnane C21H36 相似度:57.1% Organic Magnetic Resonance 1977 9 439-464 13C N.m.r. Spectra of steroids—A Survey and Commentary J.W.Blunt and J.B.Stothers Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 24 . 5β-Pregnane C21H36 相似度:57.1% Organic Magnetic Resonance 1977 9 439-464 13C N.m.r. Spectra of steroids—A Survey and Commentary J.W.Blunt and J.B.Stothers Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 25 . 5-Azido-5β-pregnane C21H35N3 相似度:57.1% Organic Magnetic Resonance 1977 9 439-464 13C N.m.r. Spectra of steroids—A Survey and Commentary J.W.Blunt and J.B.Stothers Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 26 . umbellacin D C23H36O7 相似度:56.5% Journal of Natural Products 2006 69 338-341 Cytotoxic Xenia Diterpenoids from the Soft Coral Xenia umbellata Ali A. H. El-Gamal, Shang-Kwei Wang, and Chang-Yih Duh Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 27 . (E)-3β ,17β -diacetoxy-5,10-secoandrost-1(10)-en-5-one 相似度:56.5% Steroids 2006 71 504-509 Isolation and structure elucidation of new radical oxidation products of 5-hydroxy steroids Vladimir A. Khripach, Vladimir N. Zhabinskii, Anna I. Kuchto, Yuliya Y. Zhiburtovich, Alexander S. Lyakhov, Alla A. Govorova, Marinus B. Groen, Jaap van der Louw, Aede de Groot Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 28 . plakortolide B C25H38O4 相似度:56.5% Journal of Natural Products 1994 Vol 57 1374 New Cytotoxic Peroxylactones from the Marine Sponge, Plakinastrella onkodes Paul A. Horton, Ross E. Longley, Michelle Kelly-Borges, Oliver J. McConnell, Larry M. Ballas Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 29 . 17-(N-(prop-2-ynyl)-carbamoyl)-6β-hydroxy-3α,5acycloandrost-16-ene C23H31NO2 相似度:56.5% Steroids 2011 76 1377-1382 Synthesis of steroid–ferrocene conjugates of steroidal 17-carboxamides via a palladium-catalyzed aminocarbonylation – Copper-catalyzed azide–alkyne cycloaddition reaction sequence Eszter Szánti-Pintér, János Balogh, Zsolt Csók, László Kollár, ágnes Gömöry, Rita Skoda-Földes Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 30 . 10β-[2-(N1,N8-di-tert-butoxycarbonylspermi-dine)ethyl]deoxoartemisinin C34H61N3O8 相似度:56.5% Bioorganic & Medicinal Chemistry 2010 18 2586-2597 Design, synthesis and antimalarial/anticancer evaluation of spermidine linked artemisinin conjugates designed to exploit polyamine transporters in Plasmodium falciparum and HL-60 cancer cell lines James Chadwick, Michael Jones, Amy E. Mercer, Paul A. Stocks, Stephen A. Ward, B. Kevin Park, Paul M. O’Neill Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 31 . [1R-[1α,2α(Z),3α,4α]]-7-[3-[[[[(1-oxoheptyl)amino]acetyl]amino]methyl]-7-oxabicyclo[2.2.1]hept-2-yl]-5-heptenoic acid C23H38N2O5 相似度:56.5% Journal of Medicinal Chemistry 1990 33 2465-2476 7-Oxabicyclo[2.2.1]heptyl carboxylic acids as thromboxane A2 antagonists: aza .omega.-chain analogs Masami Nakane, Joyce A. Reid, Wen Ching Han, Jagabandhu Das, Vu Chi Truc, Martin F. Haslanger, Dianne Garber, Don N. Harris, Anders Hedberg, Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 32 . tert-butyl[1S-[1α,2α(Z),3α,4α]]-7-[3-[[[1-oxo-2-[(1-oxoheptyl)-amino]ethyl]amino]methyl]-7-oxabicyclo[2.2.1]hept-2-yl]-5-heptenoate 相似度:56% Journal of Medicinal Chemistry 1990 33 2465-2476 7-Oxabicyclo[2.2.1]heptyl carboxylic acids as thromboxane A2 antagonists: aza .omega.-chain analogs Masami Nakane, Joyce A. Reid, Wen Ching Han, Jagabandhu Das, Vu Chi Truc, Martin F. Haslanger, Dianne Garber, Don N. Harris, Anders Hedberg, Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 33 . Rhizobialide C18H32O3 相似度:55% Chemistry & Biodiversity 2007 Vol. 4 893 Rhizobialide: A New Stearolactone Produced by Mesorhizobium sp. CCNWGX022,a Rhizobial Endophyte from Glycyrrhiza uralensis Ge-Hong Wei, Xue-Ying Yang, Ji-Wen Zhang, Jin-Ming Gao, Yong-Qing Ma, Yun-Yun Fu, and Pang Wang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 34 . ent-14 ,16-epoxy-8-pimarene-3 ,15α-diol C20H32O3 相似度:55% Journal of Natural Products 2009 72 2005-2008 ent-Pimarane Diterpenoids from Siegesbeckia orientalis and Structure Revision of a Related Compound Fei Wang, Xue-Lian Cheng, Ya-Ju Li, Song Shi, and Ji-Kai Liu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 35 . cyclomyltaylane- 1β,5α-diol C15H24O2 相似度:55% Chemical & Pharmaceutical Bulletin 2006 54(7) 996-1003 Isolation and Structures of New Cyclomyltaylane and ent-Chamigrane-Type Sesquiterpenoids from the Liverwort Reboulia hemishaerica andTheir Biotransformation by the Fungus Aspergillus niger Mai FURUSAWA,Toshihiro HASHIMOTO,Yoshiaki NOMA,and Yoshinori ASAKAWA Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 36 . ent-3β,2'-diacetoxy-12-oxo-13-epi-manoyl oxide C24H37O6 相似度:55% Phytochemistry 2004 65 107-115 Biotransformation of ent-13-epi-manoyl oxides difunctionalized at C-3 and C-12 by filamentous fungi Andrés García-Granados, Antonia Fernández, María C. Gutiérrez,Antonio Martínez, Raquel Quirós, Francisco Rivas, JoséM. Arias Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 37 . azorelloide C20H30O2 相似度:55% Phytochemistry 2004 65 2085-2089 Azorellane diterpenes from Azorella cryptantha Cristina B. Colloca, Delia B. Pappano, Daniel A. Bustos, Virginia E. Sosa,Ricardo F. Baggio, Maria T. Garland d, Roberto R. Gil Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 38 . dihydroazorellolide C20H32O2 相似度:55% Phytochemistry 2004 65 2085-2089 Azorellane diterpenes from Azorella cryptantha Cristina B. Colloca, Delia B. Pappano, Daniel A. Bustos, Virginia E. Sosa,Ricardo F. Baggio, Maria T. Garland d, Roberto R. Gil Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 39 . 14S-bromo-1S-hydroxy-1,2,13,14-tetrahydrosphaerococcenol-A C20H32Br2O3 相似度:55% Journal of Natural Products 2008 71(8) 1386-1392 Brominated Diterpenes with Antibacterial Activity from the Red Alga Sphaerococcus coronopifolius Vangelis Smyrniotopoulos, Constantinos Vagias, M.Mukhlesur Rahman, Simon Gibbons, and Vassilios Roussis Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 40 . lepadiformine C C16H29N 相似度:55% Journal of Natural Products 2006 69(4) 558-562 Sensitivity of Cardiac Background Inward Rectifying K Outward Current (IK1) to the Alkaloids Lepadiformines A, B, and C Martin-Pierre Sauviat, Joseph Vercauteren, Nicole Grimaud, Marcel Jug, Mohamed Nabil, Jean-Yves Petit, and Jean-Franois Biard Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 41 . compound 18 C21H34O6 相似度:55% Journal of Natural Products 2005 68 1274-1276 Antifungal Activity of Artemisinin Derivatives Ahmed M. Galal, Samir A. Ross, Melissa Jacob, and Mahmoud A. ElSohly Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 42 . 3β-hydroxygrindelic acid 相似度:55% Journal of Natural Products 2001 64 1365-1367 Manoyl Oxide r-Arabinopyranoside and Grindelic Acid Diterpenoids from Grindelia integrifolia Ahmed A. Ahmed,Ahmed A. Mahmoud, Usama M. Ahmed, Ashraf A. El-Bassuony, Mohamed H. Abd El-Razk,Paul W. Pare, and Joe Karchesy Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 43 . (2RS,4SR,6RS)-2-Cyclohexyl-6-heptyltetrahydro-2H-pyran-4-ol C18H34O2 相似度:55% Helvetica Chimica Acta 2009 92 1333-1340 Alkyl-Group Selection in an Acidic-Surfactant-Promoted Reaction of Homoallyl Alcohols and Aldehydes in Water Takanori Hatakeyama, Yuki Chisaka, Chiaki Kuroda Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 44 . (2RS,4SR,6RS)-2-Cyclohexyltetrahydro-6-undecyl-2H-pyran-4-ol C22H42O2 相似度:55% Helvetica Chimica Acta 2009 92 1333-1340 Alkyl-Group Selection in an Acidic-Surfactant-Promoted Reaction of Homoallyl Alcohols and Aldehydes in Water Takanori Hatakeyama, Yuki Chisaka, Chiaki Kuroda Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 45 . 9α-hydroxyoxandrolone C19H30O4 相似度:55% Steroids 2009 74 1040-1044 New oxandrolone derivatives by biotransformation using Rhizopus stolonifer M. Iqbal Choudhary, Mohammad Yasin Mohammad, Syed Ghulam Musharraf, Masood Parvez, Amal Al-Aboudi, Atta-ur-Rahman Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 46 . 3-hydroxygrin-delic acid 相似度:55% Journal of Natural Products 1988 Vol 51 125 Bioconversion of Grindelic Acid into 3α-Hydroxygrindelic Acid Joseph J. Hoffmann, Hunsa Punnapayak, Shivanand D. Jolad, Robert B. Bates, Fernando A. Camou Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 47 . compound 8 相似度:55% Journal of Natural Products 1994 Vol 57 100 New Cembrene Diterpenes from the Resins of Eremophila Species Emilio L. Ghisalberti, Phillip R. Jefferies, Trevor A. Mori, Edi Twiss Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 48 . 8α,13R-epoxylabd-14-ene-1α,5α-diol C20H34O3 相似度:55% Phytochemistry 1994 36 735-738 Rearranged isopimarenes and other diterpenoids from Satureja gilliesii Cecilia Labbé, Mariano Castillo, Francesca Fainia, Josep Coll, Joseph D. Connolly Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 49 . 17β-acetoxyandrostan-3-one 相似度:55% Phytochemistry 1993 33 831-834 The biotransformation of some steroids by Cephalosporium aphidicola James R. Hanson, Habib Nasir Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 50 . Barbifusicoccin A C20H34O2 相似度:55% Phytochemistry 1993 34 181-190 Terpenoids from six lophoziaceae liverworts Motoo Tori, Toshinori Nagai, Yoshinori Asakawa, Siegfried Huneck, Keiichiro Ogawa Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 51 . Barbifusicoccin B C20H34O2 相似度:55% Phytochemistry 1993 34 181-190 Terpenoids from six lophoziaceae liverworts Motoo Tori, Toshinori Nagai, Yoshinori Asakawa, Siegfried Huneck, Keiichiro Ogawa Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 52 . (3S,5aR,6aS,7aS)-5,5a,6,6a,7,7a-Hexahydro-3,6,6,7a-tetramethyl-3-(3-methylbut-2-enyl)bicyclo[4.1.0]hept-1(6)-eno[3,4-b][1,4]oxazin-2(3H)-one C18H27NO2 相似度:55% The Journal of Organic Chemistry 2011 76 1621-1633 Asymmetric Synthesis of r-Methyl-r-Amino Acids via Diastereoselective Alkylation of (1S)-(+)-3-Carene Derived Tricyclic Iminolactone Ta-Jung Lu and Cheng-Kun Lin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 53 . (3S,5aR,6aS,7aS)-3-Butyl-5,5a,6,6a,7,7a-hexahydro-3,6,6,7a-tetramethylbicyclo[4.1.0]hept-1(6)-eno[3,4-b][1,4]oxazin-2(3H)-one C17H27NO2 相似度:55% The Journal of Organic Chemistry 2011 76 1621-1633 Asymmetric Synthesis of r-Methyl-r-Amino Acids via Diastereoselective Alkylation of (1S)-(+)-3-Carene Derived Tricyclic Iminolactone Ta-Jung Lu and Cheng-Kun Lin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 54 . compound 22 C25H44O3F3 相似度:55% Tetrahedron Letters 2000 41 3327-3330 New catalytic oxidation of trifluoromethyl carbinols by a ruthenium(II) complex Venkitasamy Kesavan, Danièle Bonnet-Delpon, Jean-Pierre Bégué, Abirami Srikanth, Srinivasan Chandrasekaran Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 55 . 3α-hydroxygrindelic acid 相似度:55% Phytochemistry 1988 27 2125-2127 Hydroxygrindelane derivatives by microbial transformation Joseph J. Hoffmann,Shivanand D. Jolad,Robert B. Bates,Fernando A. Camou Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 56 . compound 1 相似度:55% Phytochemistry 1989 28 543-551 Diterpenes and other constituents from Australian Helichrysum and related species J. Jakupovic,A. Schuster,F. Bohlmann,U. Ganzer,R.M. King,H. Robinson Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 57 . 7β-hydroxymaalioxide C15H26O2 相似度:55% Heterocycles 2004 62 655-666 Biotransformation of (-)-Maalioxide by Aspergillus niger and Aspergillus cellulosae Toshihiro Hashimoto, Yoshiaki Noma, Yoshiaki Gotoh, Masami Tanaka, Shigeru Takaoka, and Yoshinori Asakawa* Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 58 . Compound 4 相似度:55% Bioorganic & Medicinal Chemistry Letters 2004 14 779-782 Essential structural features of acetogenins: role of hydroxy groups adjacent to the bis-THF rings Masato Abe, Atsushi Kenmochi, Naoya Ichimaru, Takeshi Hamada, Takaaki Nishioka, Hideto Miyoshi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 59 . 10β-[2'-(2''-carboxy-1''-ethy-lcarboxylate)-ethyl]deoxoartemisinin 相似度:55% Bioorganic & Medicinal Chemistry Letters 2005 15 2629-2631 Synthesis of novel 10-deoxoartemisinins Vu Tran Khac, Tuyen Nguyen Van, Sung Tran Van Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 60 . 7α-(3'-Carboxypropyl)-3,17β-dihydroxy-1,3,5(10)estratriene C22H31O4 相似度:55% Steroids 1997 62 771-775 A stereoselective synthesis of 7α-(3'-carboxypropyl)estradiol from a noncontrolled substance Maciej Adamczyk, Donald D. Johnson, Rajarathnam E. Reddy Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 61 . 2,4-Dibromo-17α-vinylestradiol 相似度:55% Steroids 1994 59 590-596 Synthesis and radiochemistry of 2,4-disubstituted 17α-iodovinylestradiols Clark H. Cummins Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 62 . 2,4-Dichloro-17α-vinylestradiol 相似度:55% Steroids 1994 59 590-596 Synthesis and radiochemistry of 2,4-disubstituted 17α-iodovinylestradiols Clark H. Cummins Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 63 . stanozolol 相似度:55% 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 -------------------------------------------------------------------------------- 64 . lynestrenol C20H28O 相似度:55% Natural Product Research 2010 24 1-6 Oxidation of lynestrenol by the fungus Cunninghamella elegans M. Iqbal Choudhary; M. Atif; Atta-Ur-Rahman Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 65 . 3-Acetoxy-5-O-angeloyl-17-Obenzoylingenol C34H40O9 相似度:55% Journal of Asian Natural products Research 2010 12 600-613 Irritant and co-carcinogenic diterpene esters from the latex of Euphorbia cauducifolia L. Imam Bakhsh Baloch; Musa Kaleem Baloch Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 66 . compound 22 C18H34O 相似度:55% Tetrahedron Letters 2003 44 7837-7840 Cu(OTf)2-catalyzed Et3SiH-reductive etherification of various carbonyl compounds with trimethylsilyl ethers Wei-Chieh Yang, Xin-An Lu, Suvarn S Kulkarni, Shang-Cheng Hung Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 67 . (Cyclododecyloxymethyl)decyldimethylammonium chloride 相似度:55% Archiv der Pharmazie 1996 329 279-282 Synthesis and Antimicrobial Activity of New Quaternary Ammonium Chlorides Bogumil Brycki, Andrzej Skrzypczak, Ilona Mirska and Juliusz Pernak Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 68 . compound 3 相似度:55% Heterocycles 2011 82 1119-1125 Modification of D-Ring Moiety of Steroids − A Novel Palladium Catalyzed Baeyer-Villiger Type Rearrangement of Cyclic Silylenol Ether Derivatives Minoru Tamiya,* Futa Takada, Nobuhisa Isaka, Nahoko Iimura, and Masaji Ishiguro* Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 69 . (E)-Octadec-9-en-11-olide C18H32O2 相似度:55% Organic & Biomolecular Chemistry 2007 5 3434-3441 Macrolides from the scent glands of the tropical butterflies Heliconius cydno and Heliconius pachinus Stefan Schulz, Selma Yildizhan, Katja Stritzke, Catalina Estrada and Lawrence E. Gilbert Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 70 . (4S,5S)-2,2-Dimethyl-4-formyl-5-[(E)-dodec-1-enyl]-1,3-dioxolane C18H32O3 相似度:55% Journal of the Chemical Society, Perkin Transactions 1 1997 1013-1016 D-Erythronolactone as a C4 building unit. Part 2.1 A short and efficient synthesis of both enantiomers of epi-muricatacin, a diastereoisomer of the native acetogenin from Annona muricata Andreas Gypser, Marcus Peterek and Hans-Dieter Scharf Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 71 . (1S,2E,4R,6E,8R,11S,12R)-8,11epoxy-2,6-cembradiene-4,12-diol 相似度:55% Acta Chemica Scandinavica 1982 36 37-41 Chemical Studies on Bryophytes. 23. 13C NMR Analysis of a Biflavone from Dicranum scoparium. Österdahl, Bengt-Göran Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 72 . lobatrienolide C20H30O3 相似度:55% Chemistry Letters 1992 21 33-36 Structures and Absolute Configurations of New Lobane Diterpenoids from the Okinawan Soft Coral Sinularia flexibilis Toshiyuki Hamada, Takenori Kusumi, Midori O. Ishitsuka and Hiroshi Kakisawa Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 73 . (S)-12-[(4R,5S)-5-{(R)-1-(tert-Butyldimethylsilyloxy)-2-hydroxyethyl}-2,2-dimethyl-1,3-dioxolan-4-yl]dodecan-2-ol C25H52O5Si 相似度:55% European Journal of Organic Chemistry 2012 1819-1824 Total Synthesis of (+)-Aspicilin by an Alkyne-Based Approach and Its Biological Evaluation Chada Raji Reddy, Nagavaram Narsimha Rao, Pombala Sujitha and Chityal Ganesh Kumar Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 74 . (1R,3R,5R,8S)-11,11-dimethyl-4-oxa-5-[6-(R)-1-hydroxypropyl]pyridinyl-6-thiatricyclo-[6.2.1.0(3,8)]undecane C19H27NO2S 相似度:55% Heterocycles 2002 58 457-469 New Chiral Ligands, Pyridinooxathianes, for Palladium-catalyzed Asymmetric Allylic Alkylation Yuko Okuyama, Hiroto Nakano,* Chizuko Kabuto, Erica Nozawa, Kouichi Takahashi, and Hiroshi Hongo Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 75 . 10-allyldeoxoartemisinin C18H28O4 相似度:55% Bioorganic & Medicinal Chemistry 2010 18 2586-2597 Design, synthesis and antimalarial/anticancer evaluation of spermidine linked artemisinin conjugates designed to exploit polyamine transporters in Plasmodium falciparum and HL-60 cancer cell lines James Chadwick, Michael Jones, Amy E. Mercer, Paul A. Stocks, Stephen A. Ward, B. Kevin Park, Paul M. O’Neill Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 76 . 1S-hydroperoxy-12R-hydroxy-bromosphaerol-B C20H32Br2O4 相似度:55% Tetrahedron 2008 64 5184-5190 Cytotoxic bromoditerpenes from the red alga Sphaerococcus coronopifolius Vangelis Smyrniotopoulos, Antonio Quesada, Constantinos Vagias, Dimitri Moreau, Christos Roussakis, Vassilios Roussis Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 77 . 4β-hydroxy-10,12-α-epoxy-15-(3-methyl-2-butenyl)aromadendrane C20H32O2 相似度:55% Tetrahedron 1997 53 9301-9312 Rare aromadendrane diterpenoids from a new soft coral species of Sinularia genus of the Indian Ocean Ammanamanchi S.R. Anjaneyulu, Moturu V.R. Krishnamurthy, Gottumukkala V. Rao Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 78 . compound 4 相似度:55% Tetrahedron 1996 52 13981-13990 Bioconversion of 17β-hydroxy-17α-methyl-androsta-1,4-dien-3-one and androsta-1,4-diene-3,17-dione in cultures of the green alga T76 Scenedesmus quadricauda Marina DellaGreca, Lucio Previtera, Antonio Fiorentino, Gabriele Pinto, Antonino Pollio Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 79 . dihydroplexaurolone C20H36O3 相似度:55% Tetrahedron 1989 45 103-106 New cembranoids from plexaura Wilfred R. Chan, Winston F. Tinto, Percy S. Manchand, Louis J. Todaro, Leon S. Ciereszko Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 80 . 4-thia-5β-androstanone C18H26OS 相似度:55% Tetrahedron 2005 61 3691-3696 Shielding effect of thioether C–S bond from proton chemical shifts of 4-thia-5α- and 4-thia-5β-androstane-17-ones Hajime Iwamoto, Takefumi Kawatani, Yoshimasa Fukazawa Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 81 . compound 4 相似度:55% Tetrahedron 1996 52 2325-2336 Shielding effect of ether CO bond obtained from proton chemical shifts of 4-oxa-5α- and 4-oxa-5β-androstan-17-ones Yanyan Yang, Takeharu Haino, Shuji Usui, Yoshimasa Fukazawa Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 82 . methyl (9R,10R,12S,13S)-9,12-epoxy-10,13-dihydroxy-octadecanoante 相似度:55% Tetrahedron 1998 54 2227-2242 Marine nematocides: Tetrahydrofurans from a southern Australian brown alga, Notheia anomala Robert J. Capon, Russell A Barrow, Simone Rochfort, Michael Jobling, Colin Skene, Ernest Lacey, Jennifer H Gill, Thomas Friedel, David Wadsworth Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 83 . methyl (9R,10R,12S,13S)-10,13-epoxy-9,12-dihydroxy-octadecanonate 相似度:55% Tetrahedron 1998 54 2227-2242 Marine nematocides: Tetrahydrofurans from a southern Australian brown alga, Notheia anomala Robert J. Capon, Russell A Barrow, Simone Rochfort, Michael Jobling, Colin Skene, Ernest Lacey, Jennifer H Gill, Thomas Friedel, David Wadsworth Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 84 . β,β-symmetrical trans-1,4-cyclohexanediol DHA acetal dimer C36H55O10 相似度:55% Bioorganic & Medicinal Chemistry 2009 17 741-751 Synthesis and evaluation of dihydroartemisinin and dihydroartemisitene acetal dimers showing anticancer and antiprotozoal activity Ahmed M. Galal, Waseem Gul, Desmond Slade, Samir A. Ross, Shixia Feng, Melinda G. Hollingshead, Michael C. Alley, Gurmeet Kaur, Mahmoud A. ElSohly Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 85 . 10β-allyldeoxoartemisinin C18H28O4 相似度:55% Bioorganic & Medicinal Chemistry 2009 17 1325-1338 Synthesis and biological evaluation of extraordinarily potent C-10 carba artemisinin dimers against P. falciparum malaria parasites and HL-60 cancer cells James Chadwick, Amy E. Mercer, B. Kevin Park, Richard Cosstick, Paul M. O’Neill Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 86 . compound 13 C37H61O12P 相似度:55% Bioorganic & Medicinal Chemistry 2009 17 1325-1338 Synthesis and biological evaluation of extraordinarily potent C-10 carba artemisinin dimers against P. falciparum malaria parasites and HL-60 cancer cells James Chadwick, Amy E. Mercer, B. Kevin Park, Richard Cosstick, Paul M. O’Neill Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 87 . 9-(11-Nitrooxyundecyl)-6-(piperidin-1-yl) purine C20H34N6O3 相似度:55% Bioorganic & Medicinal Chemistry 2008 16 4523-4531 Design and synthesis of nitrate esters of aromatic heterocyclic compounds as pharmacological preconditioning agents Theano Fotopoulou, Efstathios K. Iliodromitis, Maria Koufaki, Andrew Tsotinis, Anastasia Zoga, Vassilis Gizas, Anastasia Pyriochou, Andreas Papapetropoulos, Ioanna Andreadou, Dimitrios Th Kremastinos Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 88 . compound 17c C16H26O5 相似度:55% Canadian Journal of Chemistry 2011 89 1457-1468 A common synthetic route to homochiral tetracycles related to pillaromycinone and premithramycinone Bryan Hill, Robert Jordan, Yang Qu, Abdeljalil Assoud, Russell Rodrigo Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 89 . 3-Oxo-17aβ-ethoxy-D-homo-8-isoestr-5(10)-ene C21H32O2 相似度:55% Russian Journal of Organic Chemistry 2003 39 194-200 Synthesis and Investigation of Estradiol Receptors Modulators M. S. Egorov, S. I. Selivanov and A. G. Shavva Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 90 . (2S,3R,4S,6S,8S)-2,4,6,8,10-pentamethylundecane-1,3-diol 相似度:55% European Journal of Organic Chemistry 2011 4603-4608 Enantioselective Total Synthesis of (+)-Vittatalactone Jhillu S. Yadav, Nagendra Nath Yadav, T. Srinivasa Rao, B. V. Subba Reddy and Ahmad Al Khazim Al Ghamdi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 91 . (2R,3R,4S,6S,8S)-3-hydroxy-2,4,6,8,10-pentamethylundecanoic acid 相似度:55% European Journal of Organic Chemistry 2011 4603-4608 Enantioselective Total Synthesis of (+)-Vittatalactone Jhillu S. Yadav, Nagendra Nath Yadav, T. Srinivasa Rao, B. V. Subba Reddy and Ahmad Al Khazim Al Ghamdi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 92 . 17β-methylestrane(5β-epimer) C19H32 相似度:55% European Journal of Organic Chemistry 2011 4543-4550 Androstanes with Modified Carbon Skeletons Sascha Norden, Matthias Bender, Jürgen Rullkötter and Jens Christoffers Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 93 . 17β-methylestrane(5α-epimer) C19H32 相似度:55% European Journal of Organic Chemistry 2011 4543-4550 Androstanes with Modified Carbon Skeletons Sascha Norden, Matthias Bender, Jürgen Rullkötter and Jens Christoffers Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 94 . 17β-methyl-5α-androstane C20H34 相似度:55% European Journal of Organic Chemistry 2011 4543-4550 Androstanes with Modified Carbon Skeletons Sascha Norden, Matthias Bender, Jürgen Rullkötter and Jens Christoffers Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 95 . 17β-methyl-A-nor-androstane C19H32 相似度:55% European Journal of Organic Chemistry 2011 4543-4550 Androstanes with Modified Carbon Skeletons Sascha Norden, Matthias Bender, Jürgen Rullkötter and Jens Christoffers Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 96 . (S,E)-1-{(4S,5R)-2,2-dimethyl-5-[(Z)-oct-2-enyl]-1,3-dioxolan-4-yl}hexa-1,5-dien-3-ol C19H32O3 相似度:55% European Journal of Organic Chemistry 2011 1078-1083 The First Total Synthesis of Topsentolide B3 Eppakayala Sreedhar, Arramshetti Venkanna, Nagula Chandramouli, K. Suresh Babu and Janaswamy Madhusudana Rao Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 97 . 12β-allyldeoxoartemisinin 相似度:55% Journal of Medicinal Chemistry 1995 38 613-616 Synthesis and Antimalarial Activities of 12.beta.-Allyldeoxoartemisinin and Its Derivatives Yu Ming Pu, Herman Ziffer Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 98 . 7-9,10-deacetylbaccatin VI 相似度:55% Canadian Journal of Chemistry 1995 73 655-665 Taxus canadensis taxanes: structures and stereochemistry Lolita O. Zamir, Maria E. Nedea, Zhen-Hua Zhou, Sophie Bélair, Gaétan Caron, Françoise Sauriol, Emile Jacqmain, France I. Jean, François-X. Garneau, Orval Mamer Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 99 . 4-aza-5β-cholestan-3-one 相似度:55% Canadian Journal of Chemistry 1997 75 857-872 Thermolysis and photolysis of two steroidal hydroxamic acid methanesulfonates Oliver E. Edwards, Gunnar Grue-Sørensen, Barbara A. Blackwell Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 100 . 12β-(2-(2-methyl-1H-imidazol-1-yl)ethoxy)dihydroartemisinin C21H32N2O5 相似度:55% Molecules 2013 18 6866-6882 Design, Synthesis and Evaluation of the Antibacterial Enhancement Activities of Amino Dihydroartemisinin Derivatives Chong Wu, Jian Liu, Xichun Pan, Wenying Xian, Bin Li, Wei Peng, Jingfang Wang, Dacheng Yang and Hong Zhou Structure 13C NMR 碳谱模拟图 |
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