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lhw1989

铜虫 (小有名气)

[求助] 求助微谱数据

化合物一:20.74,21.49,29.64,44.20,55.35,59.90,67.18,69.78,169.86
化合物二:20.80,22.51,52.45,63.76,65.96,74.62,169.60,171.96



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哈氏鹅

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感谢参与,应助指数 +1
lhw1989(豆哥代发): 金币+10, 谢谢 2013-05-29 14:36:56
化合物一

1 .     compound 20
    相似度:70%
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
--------------------------------------------------------------------------------

2 .     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
--------------------------------------------------------------------------------

3 .     [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
--------------------------------------------------------------------------------

4 .     compound 5b(minorr isomer 1)
C16H21NO3     相似度:60%
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
--------------------------------------------------------------------------------

5 .     methyl 6α-hydroxy-7aR-pyrrolizidine-1r-carboxylate
C9H16ClNO3     相似度:55.5%
Journal of Natural Products          1998          61          1444-1446
Pyrrolizidine Alkaloids from Amphorogyne spicata
Do Thi Thu Huong, Marie-Thérèse Martin, Marc Litaudon, Thierry Sévenet, and Mary Païs
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

6 .     dioscoran D
    相似度:55.5%
Planta Medica          1986          52          168-171
Isolation and Hypoglycemic Activity of Dioscorans A, B, C, D, E, and F; Glycans of Dioscorea japonica Rhizophors
Hiroshi Hikino , Chohaehi Konno, Michiko Takahashi, Miki Murakami, Yoshiaki Kato, Masami Karikura and Teruaki Hayashi
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

7 .     2-Isopropyl-3-oxobuttersaureathylester
    相似度:55.5%
Helvetica Chimica Acta          1981          64          761-768
Notiz über die Bestimmung der absoluten Konfiguration von (+)-2-Hydroxy-2, 3-dimethylbuttersäure
Hansjürg Wetter
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

8 .     compound 7
    相似度:55.5%
Natural Product Research          2008          22          1310-1316
Two new 11α,12α-epoxy-ursan-28,13β-olides and other triterpenes from Cecropia catharinensis
E. C. Machado; R. A. Yunes; A. Malheiros; E. C. Gomez; F. Delle Monache
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

9 .     3-hydroxymethylpyrrolopiperazine-2,5-dione
    相似度:55.5%
Chinese Journal of Marine Drugs          2009          28(5)          1-6
Studies on the seeondary metabolites from the marine bacteria Bacillus subtilis
LIU Tao, LI Zhan-lin, WANG Yu, WANG Ye-ling, TIAN Li, PEIYue-hu, HUAHui-ming
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

10 .     1-O-L-valyl-D-mannitol
    相似度:55.5%
Indian Journal of Chemistry          2007          46B          2026-2044
Enzymatic syntheses of L-valyl,L-leucyl and L-isoleucyl esters of carbohydrates using Candida rugosa lipase
Somashekar,Bhandya R; Divakar,Soundar
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

11 .     compound 10
    相似度:55.5%
Heterocycles          2010          81          2539-2553
Mild Oxidation of Alcohols Using Soluble Polymer-Supported TEMPO in Combination with Oxone: Effect of a Basic Matrix of TEMPO Derivatives
Kazutsugu Matsumoto, Toshiaki Iwata, Masahiro Suenaga, Masayuki Okudomi, Masaki Nogawa, Mariko Nakano, Ai Sugahara, Yuta Bannai, and Kenji Baba
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

12 .     compound 9b
C16H28O11S2     相似度:55.5%
Heterocycles          2010          82          761-774
Stereoselective Synthesis of Caribbean Ciguatoxin M-Ring Using [2+2] Photocyclization
Shuji Yamashita, Naoya Iijima, Takahiro Shida, and Masahiro Hirama
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

13 .     diacetylisorengyol
    相似度:55.5%
Phytochemistry          1986          25          2821-2823
Cyclohexanols of halleria lucida
Hawa Abdullahi, E. Nyandat, C. Galeffi, I. Messana, M. Nicoletti, G. B. Marini Bettolo
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

14 .     六乙酰化肌醇
    相似度:55.5%
Chinese Traditional and Herbal Drugs          2002          33          1066-1067
茶色素的化学成分研究
罗永明,李诒光
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

15 .     1-(4'-Isobutylphenyl)-1-nitramino-ethan
C12H18N2O2     相似度:55.5%
Pharmazie          2001          56          745-746
Nitraminanaloges Ibuprofen
B. Unterhalt - H. Bagherzadeh
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

16 .     cis-1R,2R-1-Amino-2-(methylethyl)cyclopentanecarboxamide hydrochloride
C9H18N2O     相似度:55.5%
Pharmazie          2001          56          770-772
Asymmetric synthesis and chromatographic resolution of all four stereomers of the , -propanoleucine
P. Bisel - E. Breitling - M. Schlauch - F.-J. Volk - A. W. Frahm
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

17 .     Z-5-Hydroxyisopropylideneadamantane oxide
C13H20O2     相似度:55.5%
Tetrahedron Letters          2002          43          4649-4652
Chemo- and regioselective oxidation of adamantyl derivatives by dioxiranes
Lucia D'Accolti, Ping Kang, Saeed Khan, Ruggero Curci, Christopher S. Foote
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

18 .     E-7-Hydroxyisopropylideneadamantane oxide
C13H20O2     相似度:55.5%
Tetrahedron Letters          2002          43          4649-4652
Chemo- and regioselective oxidation of adamantyl derivatives by dioxiranes
Lucia D'Accolti, Ping Kang, Saeed Khan, Ruggero Curci, Christopher S. Foote
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

19 .     (8R,8aR)-8-aminomethyloctahydroindolizine
C9H18N2     相似度:55.5%
Heterocycles          2000          53          1371-1378
Synthesis of Enantiopure 8-Aminomethylindolizines from Glutamine by Stereoelectronically Controlled Cationic Cyclization
Thomas Lehmann and Peter Gmeiner*
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

20 .     methyl 2-acetyl-4-(dimethoxyphosphoryl)butanoate
C9H17O6P     相似度:55.5%
Bioorganic & Medicinal Chemistry          2010          18          2265-2274
Synthesis and kinetic analysis of some phosphonate analogs of cyclophostin as inhibitors of human acetylcholinesterase
Supratik Dutta, Raj K. Malla, Saibal Bandyopadhyay, Christopher D. Spilling, Cynthia M. Dupureur
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

21 .     5-(2-hydroxyethyl)-2,4-dimethoxy-6-methylpyrimidine
C9H14N2O3     相似度:55.5%
Bioorganic & Medicinal Chemistry          2010          18          2704-2712
Synthesis, X-ray crystal structure study and antitumoral evaluations of 5, 6-disubstituted pyrimidine derivatives
Tatjana Gazivoda Kraljević, Svjetlana Krištafor, Lidija Šuman, Marijeta Kralj, Simon M. Ametamey, Mario Cetina, Silvana Raić-Malić
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

22 .     nephoxaloid
    相似度:55.5%
Natural Product Research and Development          2010          22          1-4
A New Alkaloid from the Soft Coral Nephthea sp.
WANG Chang-jun; XU Shi-hai; LIAO Xiao-jian; LIN Hui
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

23 .     cyclo-(Ala-Leu)
    相似度:55.5%
Natural Product Research and Development          2009          21          420-423
Antibacterial Metabolites from Marine Bacterium Pseudomonas sp.
QI Shu-hua; QIAN Pei-yuan; ZHANG Si
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

24 .     cyclo(Pro-Thr)
    相似度:55.5%
Natural Product Research and Development          2009          21          63-65
Compounds with Nitrogen from the Sponge Hyatella sp.
XU Shi-hai; LIAO Xiao-jian; LI Hao-hua
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

25 .     methyl 3-(O-methyl)-4,6-dideoxy-α-D-altropyranoside
C8H16O4     相似度:55.5%
Tetrahedron          2002          58          6069-6091
Regiochemical control of the ring opening of 1,2-epoxides by means of chelating processes. Part 17: Synthesis and opening reactions of cis- and trans-oxides derived from (2S,6R)-2-benzyloxy-6-methyl-3,6-dihydro-2H-pyran, (2R,6R)- and (2S,6R)-2-methoxy-6-m
Paolo Crotti, Valeria Di Bussolo, Lucilla Favero, Franco Macchia, Mauro Pineschi
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

26 .     (-)-methyl 3-(N,N-diethylamino)-3,4,6-trideoxy-β-D-altropyranoside
C11H23NO3     相似度:55.5%
Tetrahedron          2002          58          6069-6091
Regiochemical control of the ring opening of 1,2-epoxides by means of chelating processes. Part 17: Synthesis and opening reactions of cis- and trans-oxides derived from (2S,6R)-2-benzyloxy-6-methyl-3,6-dihydro-2H-pyran, (2R,6R)- and (2S,6R)-2-methoxy-6-m
Paolo Crotti, Valeria Di Bussolo, Lucilla Favero, Franco Macchia, Mauro Pineschi
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

27 .     compound 11
    相似度:55.5%
The Journal of Organic Chemistry          2006          71          466-479
[13C,15N]2-Acetamido-2-deoxy-d-aldohexoses and Their Methyl Glycosides:  Synthesis and NMR Investigations of J-Couplings Involving 1H, 13C, and 15N
Yuping Zhu, Qingfeng Pan, Christophe Thibaudeau, Shikai Zhao, Ian Carmichael, and Anthony S. Serianni
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

28 .     4-hydroxymethyl-5-methyl-5-iso-propoxycarbonylpyrroline N-oxide
C10H17O4N1     相似度:55.5%
Bioorganic & Medicinal Chemistry          2011          19          7643-7652
Synthesis and characterization of 5-alkoxycarbonyl-4-hydroxymethyl-5-alkyl-pyrroline N-oxide derivatives
Anjan Patel, Natascha Rohr-Udilova, Thomas Rosenau, Klaus Stolze
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

29 .     (1R,4R,6R)-1-methyl-2-oxo-7-oxabicyclo-[4.1.0]hept-4-yl acetate
    相似度:55.5%
Russian Journal of Organic Chemistry          2011          47          173-179
Efficient synthesis of (1R,4S,6R)-4-Isopropenyl-1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptan-2-one
N. K. Selezneva, F. A. Gimalova, R. F. Valeev and M. S. Miftakhov
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

30 .     2-butylallyl acetate
C9H16O2     相似度:55.5%
European Journal of Organic Chemistry          2011                   6519-6526
Cross-Metathesis Reactions of Homoallyl Methyl Malonates with Sterically Hindered Allylic Esters
Fabio Barile, Mauro Bassetti, Andrea D'Annibale, Renzo Gerometta and Michele Palazzi
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

31 .     3-(5-butyl-1H-tetrazol-1-yl)dihydrofuran-2(3H)-one
C9H14N4O2     相似度:55.5%
Bioorganic & Medicinal Chemistry          2012          20          4727-4736
Synthesis and biological evaluation of new N-acyl-homoserine-lactone analogues, based on triazole and tetrazole scaffolds, acting as LuxR-dependent quorum sensing modulators
Mohamad Sabbah, Fanny Fontaine, Lucie Grand, Mohamed Boukraa, Mohamed L. Efrit, Alain Doutheau, Laurent Soulère, Yves Queneau
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

32 .     cyclo(L-Pro-D-Ser)
C8H12N2O3     相似度:55.5%
Journal of Medicinal Chemistry          1993          36          256-263
Synthesis and dopamine receptor modulating activity of lactam conformationally constrained analogs of Pro-Leu-Gly-NH2
Uma Sreenivasan, Ram K. Mishra, Rodney L. Johnson
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

33 .     5-[N,N-bis(2-chloroethyl)amino]-N-[(N1,N1-dimethylamino)ethyl]-2,4-dinitrobenzamide N1-oxide
C15H21Cl2N5O6     相似度:55.5%
Journal of Medicinal Chemistry          1994          37          2175-2184
Hypoxia-Selective Antitumor Agents. 9. Structure-Activity Relationships for Hypoxia-Selective Cytotoxicity among Analogs of 5-[N,N-Bis(2-chloroethyl)amino]-2,4-dinitrobenzamide
Brian D. Palmer, William R. Wilson, Graham J. Atwell, Diane Schultz, Xing Z. Xu, William A. Denny
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

34 .     trans-7-methyl-1,2,3,5,6,7,8,8a-octahydro-5-indolizinone
C9H15NO     相似度:55.5%
Tetrahedron          2013          69          274-283
New synthesis and reactions of indolizidine 167E and indolizidine derivatives
Shang-Shing P. Chou, Shan-Lun Chiang, Guan-Lin Huang, Bi-Shan Chiang, Ya-Chien Yu
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

35 .     2-iso-Propyl-4-methyl-5-methylene-1,1-dioxo-isothiazolidin-4-ol
C8H15NO3S     相似度:55.5%
Tetrahedron          2013          69          2369-2375
Syntheses of five- and seven-membered ring sultam derivatives by Michael addition and Baylis–Hillman reactions
Kun Tong, Jinchang Tu, Xueyong Qi, Min Wang, Yanjie Wang, Haizhen Fu, Charles U. Pittman Jr., Aihua Zhou
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

36 .     2-Butyl-4-methyl-5-methylene-1,1-dioxo-isothiazolidin-4-ol
C9H17NO3S     相似度:55.5%
Tetrahedron          2013          69          2369-2375
Syntheses of five- and seven-membered ring sultam derivatives by Michael addition and Baylis–Hillman reactions
Kun Tong, Jinchang Tu, Xueyong Qi, Min Wang, Yanjie Wang, Haizhen Fu, Charles U. Pittman Jr., Aihua Zhou
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

37 .     5-Chloro-2-pentanone 2',2'-Dimethylpropylene Ketal
C10H19ClO2     相似度:55.5%
Journal of the American Chemical Society          1987          109          4940-4948
Stereorational total synthesis of (.+-.)-porantherine
David M. Ryckman, Robert V. Stevens
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

38 .     cis-6-Isopropyl-2-oxa-6-azabicyclo[3.2.0.]heptan-7-one
C8H13NO2     相似度:55.5%
Tetrahedron          2012          68          10787-10793
Stereoselective synthesis of bicyclic tetrahydrofuran-fused β-lactams and their conversion into methyl cis-3-aminotetrahydrofuran-2-carboxylates
Karen Mollet, Matthias D’hooghe, Norbert De Kimpe
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

39 .     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
--------------------------------------------------------------------------------

40 .     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
--------------------------------------------------------------------------------

41 .     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
--------------------------------------------------------------------------------

42 .     ethyl rac-(2S)-2-acetoxy-α-forosamine
C12H23NO4     相似度:54.5%
European Journal of Organic Chemistry          2011                   6574-6580
Three-Component Domino Knoevenagel/Hetero-Diels–Alder Reaction for the Synthesis of the Amino Sugars 2-Acetoxyforosamine and 2-Acetoxyossamine – Experimental and Theoretical Results
Lutz F. Tietze, Simone Dietz, Niels Böhnke, M. Alexander Düfert, Ina Objartel and Dietmar Stalke
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

43 .     compound 1S-6e
    相似度:54.5%
Tetrahedron          2012          68          5386-5390
InBr3-catalyzed cyclization of glycosides with arylamines
Pingyuan Wang, Meining Wang, Xuefeng Zhang, Guangfu Yang, Ao Zhang
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

44 .     compound 5
C13H19IO8     相似度:53.8%
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
--------------------------------------------------------------------------------

45 .     rel- (1R,2R,3R,4S,6S)-p-menthane-1,2,3,6-tetrol
C10H20O4     相似度:50%
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
--------------------------------------------------------------------------------

46 .     rel-(1R,2R,3R,4S,5S)-p-menthane-1,2,3,5-tetrol
C10H20O4     相似度:50%
Helvetica Chimica Acta          2006          Vol. 89          915
Terpenoids from the Roots of Ligularia muliensis
Qiu-Hong Wu, Chun-Mei Liu, Yan-Jun Chen, and Kun Gao
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

47 .     bombardolide B
C10H14O3     相似度:50%
Journal of Natural Products          2001          64          809-812
Bombardolides: New Antifungal and Antibacterial ç-Lactones from the Coprophilous Fungus Bombardioidea anartia
Sara M. Hein, James B. Gloer,Brenda Koster,and David Malloch
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

48 .     (3R,4R,6S)-3,6-dihydroxy-1-menthene
C10H18O2     相似度:50%
Planta Medica          2003          69          356-360
Eremophilenolides and Other Constituents from the Eremophilenolides and Other Constituents from the
Xu-Qin Li,Kun Gao,Zhong-Jian Jia
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

49 .     cyclo 2(Leu2Thr)
C10H18O3N2     相似度:50%
Acta Botanica Yunnanica          2003          25(3)          366-368
Cyclodipeptides of Panax notoginseng and Lactams of Panax ginseng
TAN Ning-Hua,WANG huang-Ming, YANG Ya-Bin,HE Ming
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

50 .     compound 7
C10H20O2     相似度:50%
Chemical & Pharmaceutical Bulletin          1981          29          1636-1643
The Constituents of Schizonepeta tenuifolia BRIQ. I. Structures of Two New Monoterpene Glucosides, Schizonepetosides A and B
HIROSHI SASAKI,HEIHACHIRO TAGUCHI,TOHRU ENDO,ITIRO YOSIOKA and YOICHI IITAKA
Structure      13C NMR   碳谱模拟图
静于心,睿于智
2楼2013-05-23 20:10:10
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

河边的芦苇

至尊木虫 (著名写手)

哈氏鹅

【答案】应助回帖

化合物二

1 .     (1S)-1-{(1S,2R)-2-[(1S)-1-Hydroxyethyl]-1-methylcyclobutyl}ethane-1,2-diol
C9H18O3     相似度:66.6%
European Journal of Organic Chemistry          2012                   1404-1417
Synthetic Studies of Sesquiterpenes with the Dunniane Skeleton
Sònia Parés, Ramon Alibés, Marta Figueredo, Josep Font and Teodor Parella
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

2 .     Diacetyl-2-methylbutyrolactone
    相似度:62.5%
Phytochemistry          1995          39          1127-1131
Sesquiterpene lactones and other constituents from Hymenoxys richardsonii and H. subintegra
Ahmed A. Ahmed, O. Spring, Mohamed H. Abd El-Razek, Nadia S. Hussein, Tom J. Mabry
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

3 .     compound 14
C10H15NO3     相似度:60%
Chinese Chemical Letters          1998          9          999-1002
The Stereoselective Formal Synthesis of(-)-Slaframine
Han Qing DONG and Guo Qiang LIN
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

4 .     6-[3-(Acetylhydroxyamino)propyl]-3-oxo-2,5,7-trioxa-6-phophanonan-9-oic acid methyl este
C11H20NO9P     相似度:55.5%
Archiv der Pharmazie          2005          338          305-314
Alkoxycarbonyloxyethyl Ester Prodrugs of FR900098 with Improved In Vivo Antimalarial Activity
Regina Ortmann, Jochen Wiesner, Armin Reichenberg, Dajana Henschker, Ewald Beck, Hassan Jomaa and Martin Schlitzer
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

5 .     compound 3
C9H12O6     相似度:55.5%
Heterocycles          2003          61          9-12
2-Amino-5-hydroxyhexanoic Acid and Its Succinyl Derivatives as Their Lactone Forms from Kobutorisou, an Antagonizing Plant to Nematode
Tadahiro Kato,* Kenji Fujisawa, and Yuuki Shimizu
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

6 .     (+)-methyl 2-(O-acetyl)-4,6-dideoxy-α-D-glucopyranoside
C9H16O5     相似度:55.5%
Tetrahedron          2002          58          6069-6091
Regiochemical control of the ring opening of 1,2-epoxides by means of chelating processes. Part 17: Synthesis and opening reactions of cis- and trans-oxides derived from (2S,6R)-2-benzyloxy-6-methyl-3,6-dihydro-2H-pyran, (2R,6R)- and (2S,6R)-2-methoxy-6-m
Paolo Crotti, Valeria Di Bussolo, Lucilla Favero, Franco Macchia, Mauro Pineschi
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

7 .     catathelasmol C
C9H14O5     相似度:55.5%
The Journal of Antibiotics          2009          62          239-242
Pentanol derivatives from basidiomycete Catathelasma imperiale and their 11-hydroxysteroid dehydrogenases inhibitory activity
Ling Zhang, Yu Shen, Hua-Jie Zhu, Fei Wang, Ying Leng and Ji-Kai Liu
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

8 .     cyclo(L-Leu-L-Ser)
C9H16N2O3     相似度:55.5%
Bioorganic & Medicinal Chemistry          2012          20          2002-2009
Cyclic dipeptides exhibit potency for scavenging radicals
Tadashi Furukawa, Takashi Akutagawa, Hitomi Funatani, Toshikazu Uchida, Yoshihiro Hotta, Masatake Niwa, Yoshiaki Takaya
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

9 .     2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranosylamine
C14H22N2O8     相似度:55.5%
European Journal of Organic Chemistry          2010                   900-908
Synthesis of Amino-Bridged Oligosaccharide Mimetics
Janna Neumann and Joachim Thiem
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

10 .     r-2-COOMe,c-4,c-6-dimethyltetrahydropyran
    相似度:55.5%
Organic Magnetic Resonance          1983          21          94-107
Carbon-13 NMR spectra of saturated heterocycles: XI—Tetrahydropyrans (oxanes)
Ernest L. Eliel, Muthiah Manoharan, K. Michal Pietrusiewicz and Karl D. Hargrave
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

11 .     [1β,2α,3β,4β]-3-Acetoxy-2-(hydroxymethyl)-7-oxabicyclo-[2.2.1]heptane
    相似度:55.5%
Journal of Medicinal Chemistry          1986          29          2335-2347
9,11-Epoxy-9-homo-14-oxaprosta-5-enoic acid derivatives. Novel inhibitors of fatty acid cyclooxygenase
Steven E. Hall, Wen Ching Han, Martin F. Haslanger, Don N. Harris, Martin L. Ogletree
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

12 .     Methyl deca-4,6-diynoate
C11H14O2     相似度:54.5%
Phytochemistry          1995          40          141-147
Acetylenes and terpenoids of Bellis perennis
Pinarosa Avato, Aldo Tava
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

13 .     compound 1
C13H25NO4Si     相似度:54.5%
The Journal of Antibiotics          2013          66          161-163
A practical preparation of the key intermediate for penems and carbapenems synthesis
Barbara Grzeszczyk, Sebastian Stecko, Łukasz Mucha, Olga Staszewska-Krajewska, Marek Chmielewski and Bartłomiej Furman
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

14 .     5-Acetamido-2-O-acetyl-3,5-dideoxy-D-glycero-D-galactononulopyranosic acid
C13H21NO10Si     相似度:53.8%
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
--------------------------------------------------------------------------------

15 .     threo-Trimethylsilylethyl 3-acetoxy2-hydroxy-2- methylbutanoate
    相似度:50%
Phytochemistry          2006          67          2651-2658
Cytotoxic phenylpropanoids and an additional thapsigargin analogue isolated from Thapsia garganica
Huizhen Liu, Kent Gunnertoft Jensen, Linh My Tran, Ming Chen, Lin Zhai,Carl Erik Olsen, Helmer Søhoel, Samuel R. Denmeade, John T. Isaacs,S. Brøgger Christensen
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

16 .     (+)-5-acetoxymethyl-5-methylfuran-2-one
    相似度:50%
Journal of Natural Products          2004          67          592-597
New β-Caryophyllene-Derived Terpenoids from the Soft Coral Sinularia nanolobata
Atallah F. Ahmed, Jui-Hsin Su, Ru-Ting Shiue, Xin-Jie Pan,Chang-Feng Dai, Yao-Haur Kuo, and Jyh-Horng Sheu
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

17 .     cyclo 2(Leu2Thr)
C10H18O3N2     相似度:50%
Acta Botanica Yunnanica          2003          25(3)          366-368
Cyclodipeptides of Panax notoginseng and Lactams of Panax ginseng
TAN Ning-Hua,WANG huang-Ming, YANG Ya-Bin,HE Ming
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

18 .     hexadecane-1,16-diol 7-caffeoyl ester diacetate
    相似度:50%
Chemical & Pharmaceutical Bulletin          1987          35          229-234
Constituent of Pollen. XIII. Constituents of Cedrus deodara LOUD. (2)
TAICHI OHMOTO,KEEKO KANATANI (née INAGAKI) and KYOKO YAMAGUCHI
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

19 .     cyclo(Leu-Leu)
C12H22N2O2     相似度:50%
Chemistry of Natural Compounds          2009          45          290-292
DIKETOPIPERAZINE CONSTITUENTSOF MARINE Bacillus subtilis
Xiaoling Lu, Yunheng Shen, Yuping Zhu,Qiangzhi Xu, Xiaoyu Liu, Kunyi Ni,Xin Cao,Weidong Zhang, and Binghua Jiao1
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

20 .     Dibenzyl-2,2'-azodiisobutyrate
C22H26N2O4     相似度:50%
Molecules          2000          5          730-736
Synthesis and Characterization of New Surface Active Azo Initiators for Radical Reactions
Milos Sedlak1 and Klaus Tauer2
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

21 .     Diessigsaure-[9-oxabicyclo[3.3. 1]nonan-2endo,4endo-diyl]diesters
C8H12O3     相似度:50%
Helvetica Chimica Acta          1980          63          970-986
Heterotricyclodecane. XXVI. 2,6-Dioxatricyclo [3.3.2.03,7]decan, ein neuartiges isomers von 2,6-dioxaadamantan
Peter Buchs, Camille Ganter
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

22 .     N-Maleonyl-(S)-leucine-methyl ester
    相似度:50%
Molecules          1997          2          49-56
Synthesis and 1, 3-Dipolar Cycloaddition Reactions of Chiral Maleimides
Vladimir Ondrus and Lubor Fisera
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

23 .     1-Chlorocarbonylcyclohexane-1-carboxylic acid ester
    相似度:50%
Molecules          2006          11          357-364
Synthesis of Novel Sterically Demanding Carbo- and Heterocyclic β-Ketoesters
Marko D. Mihovilovic, Thomas C. Fischer and Peter Stanetty
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

24 .     4-Chlorocarbonyltetrahydopyran-4-carboxylic acid ester
    相似度:50%
Molecules          2006          11          357-364
Synthesis of Novel Sterically Demanding Carbo- and Heterocyclic β-Ketoesters
Marko D. Mihovilovic, Thomas C. Fischer and Peter Stanetty
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

25 .     4-Chlorocarbonylpiperidine-1,4-dicarboxylic acid diester
    相似度:50%
Molecules          2006          11          357-364
Synthesis of Novel Sterically Demanding Carbo- and Heterocyclic β-Ketoesters
Marko D. Mihovilovic, Thomas C. Fischer and Peter Stanetty
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

26 .     Leucine methyl ester
    相似度:50%
Molecules          2008          13          1111-1119
A Convenient Synthesis of Amino Acid Methyl Esters
Jiabo Li and Yaowu Sha
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

27 .     3,9-Dimethyl-3,9-bis(methoxycarbonylmethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
C15H24O8     相似度:50%
Molecules          2008          13          2848-2858
Synthesis and Structure of New 3, 3, 9, 9-Tetrasubstituted-2, 4, 8, 10-Tetraoxaspiro[5.5]undecane Derivatives
Alin Mihiş, Eric Condamine, Elena Bogdan, Anamaria Terec, Tibor Kurtán and Ion Grosu
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

28 .     homostachydrine
    相似度:50%
Biochemical Systematics and Ecology          1993          21          723-727
Betaines, amino acids and waxes from Etythrochiton brasiliensis
Silvia R. Sargenti, João B. Fernandes, M. Fátima Das, G. F. Da Silva, Paulo C. Vieira, Antônio Salatino, JoséR. Pirani
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

29 .     cholest-5-en-3β,7β,19-triol
C33H52O6     相似度:50%
Journal of Asian Natural Products Research          2001          3          23-29
Chemical Constituents of Pseudopterogorgia Species of the Indian Ocean
MULABAGAL VANISREE, GOTTUMUKKALA V. SUBBARAJU and CH. BHEEMASANKARA RAO
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

30 .     Leucine betaine
C9H19NO2     相似度:50%
Phytochemistry          1996          42          443-445
Nonprotein amino acids from seeds of Cycas circinalis and Phaseolus vulgaris
Cong-Jun Li, Delia M. Brownson, Tom J. Mabry, Chris Perera, E. Arthur Bell
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

31 .     Dimethyl octa-3,5-diyn-1,8-dioate
C12H14O4     相似度:50%
Phytochemistry          1995          40          141-147
Acetylenes and terpenoids of Bellis perennis
Pinarosa Avato, Aldo Tava
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

32 .     theobroxide
C7H10O3     相似度:50%
Phytochemistry          1994          35          835-839
Potato micro-tuber inducing substances from Lasiodiplodia theobromae
Kaoru Nakamori, Hideyuki Matsuura, Teruhiko Yoshihara, Akitami Ichihara and Yasunori Koda
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

33 .     1-Isopropyloxy-3-thiocyanatopropan-2-yl acetate
C9H15NO3S     相似度:50%
Canadian Journal of Chemistry          2010          88          598-604
Catalyst-free, direct, high regio-, and chemoselective conversion of epoxides to 2-thiocyanatoalkyl alkanoates under neutral and solvent-free conditions
Ghasem Aghapour and Razieh Hatefipour
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

34 .     (-)-(5S)-methyl-2-imino-1-methylpyrrolidine-2-carboxylate
C7H12N2O2     相似度:50%
Organic Letters          2006          Vol. 8, No. 21          4967-4970
Isolation and Synthesis of (-)-(5S)-2-Imino-1-methylpyrrolidine-5-carboxylic Acid from Cliona tenuis:Structure Revision of Pyrostatins
Leonardo Castellanos, Carmenza Duque,Sven Zea, Alfonso Espada,Jaime Rodríguez, and Carlos Jiménez
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

35 .     (R)-3-hydroxy-2-methylpropyl acetate
C6H12O3     相似度:50%
Organic Letters          2005          Vol. 7, No. 25          5569-5572
Toward a Total Synthesis of the Novel Polyketide Natural Product Spiculoic Acid A
Goverdhan Mehta and Uday Kumar Kundu
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

36 .     compound 11
    相似度:50%
Tetrahedron Letters          2000          41          823-826
Total synthesis of lipoxin A4 and lipoxin B4 from butadiene
A. Rodríguez, M. Nomen, B. W. Spur, J. J. Godfroid, T. H. Lee
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

37 .     compound 12
C10H21O5P     相似度:50%
Phytochemistry          1988          27          3169-3173
A new fatty acid methyl ester and other biologically active compounds from Aspergillus niger
Muraleedharan G. Nair,Basil A. Burke
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

38 .     3-(diethoxy-methyl-silanyl)-1-acetoxy-propane
    相似度:50%
Organic letters          2002          4          2117-2119
Platinum Oxide (PtO2): A Potent Hydrosilylation Catalyst
Nicolas Sabourault, Gérard Mignani, Alain Wagner, and Charles Mioskowski
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

39 .     5-acetoxy-1-pentanal
    相似度:50%
Journal of Heterocyclic Chemistry          2008          45          765-772
Studies towards the synthesis of bicyclomycin precursors: Synthesis of N,N'-disubstituted 2,5-diketopiperazines in solution and on solid phase
Anna Fryszkowska and Ryszard Ostaszewski
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

40 .     3,3-dimethoxycarbonyl-(4aR,8aS)-perhydropyrano[2,3-b]-pyran
C12H18O6     相似度:50%
Journal of Heterocyclic Chemistry          2007          44          1493-1495
A new method for the synthesis of bicyclic pyran acetals
Duygu Ergunes,Volkan Kumbaraci,Bekir Karliga and Naciye Talinli
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

41 .     compound 4a
C14H16N4O4S2     相似度:50%
Journal of Heterocyclic Chemistry          2002          39          29-35
Reactions of 4-chloro-5h-1,2,3-dithiazole-5-thione with ,β-unsaturated β-amino esters: Formation of 2-[2-(1-alkenylsulfanyl-1-alkoxycarbonyl-2-amino)-1,2-dicyano-vinylsulfanyl]-3-amino-2-alkenoic alkyl esters
Yong-Goo Chang, Kyongtae Kim and Yung Ja Park
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

42 .     tetrahydropyran
    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
--------------------------------------------------------------------------------

43 .     N,N-diisopropyl-5,6-dihydro-4H-pyran-3-carboxamide
    相似度:50%
Journal of Heterocyclic Chemistry          2010          47          1171-1175
The reaction of 3,4-dihydro-2H-pyran with oxalyl chloride: Formation and crystal structure analysis of an unexpected bicyclic product
Bernd Schmidt, Frank Werner, Alexandra Kelling and Uwe Schilde
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

44 .     cyclo-(Ala-Val)
    相似度:50%
China Journal of Chinese Materia Medica          2010          35          2412-2415
Chemical constituents of Gekko swinhonis
LI Wen; WANG Guocai; ZHANG Xiaoqi; WANG Ying; YE Wencai;
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

45 .     compound 3f
    相似度:50%
Indian Journal of Chemistry          2005          44B          1505-1508
A convenient synthesis of γ-methyl α-(alkylidene)-γ-butyrolactones
Shet,Jyoti B; Amonkar,Chandan P; Nadkarni,Vishnu S; Tilve,Santosh G
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

46 .     compound 3
C12H22NO9     相似度:50%
Heterocycles          2008          75          879-885
Synthesis and Evaluation of Influenza Virus Sialidase Inhibitory Activity of Hinokiflavone-Sialic Acid Conjugates
Kazuhiko Miki, Takayuki Nagai, Takayuki Nakamura, Mitsuru Tuji, Kiyotaka Koyama, Kaoru Kinoshita, Kimio Furuhata, Haruki Yamada, and Kunio Takahashi
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

47 .     (1R*,2S*,9R*,10S*,Z)-13-oxabicyclo[8.2.1]tridec-5-ene-2,9-diyl diacetate
C16H24O5     相似度:50%
Heterocycles          2008          75          1385-1396
A Facile Synthesis of Cycloether Systems Bearing [2, 4]-Oxazole Units
Marcelo Incerti, Carolina Fontana, Laura Scarone, Guillermo Moyna, and Eduardo Manta
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

48 .     2,2,2-trichloroethyl 2-diethylphosphono-5-oxopyrrolidine-1-carboxylate
C11H17NO6Cl3P     相似度:50%
Heterocycles          2008          76          429-438
Ruthenium Tetroxide Oxidation of N-Acyl Cyclic Amine-2-phosphonic Acid Diesters
Mamoru Kaname, Hironori Mashige, Shigeyuki Yoshifuji, and Haruki Sashida
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

49 .     dimethyl N-acetyliminodiacetate
C8H13NO5     相似度:50%
Heterocycles          2008          76          1237-1248
Synthesis of 1', 2', 3', 4', 5'-Pentamethyl-3, 4-diphenylazaferrocene and Its Enantioselective C-2 Functionalization via (-)-Sparteine-Mediated Lithiation
Tsutomu Fukuda, Yasuyuki Koga, and Masatomo Iwao
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

50 .     cis-1,2-diacetoxy-1,2-diethylcyclopropane
C11H18O4     相似度:50%
Heterocycles          2008          76          1381-1399
Diastereoselective Nucleophilic Cyclopropanation of 1, 2-Diketones and α-Ketoimines with Bis(iodozincio)methane
Kenichi Nomura, Keisuke Asano, Takuya Kurahashi, and Seijiro Matsubara
Structure      13C NMR   碳谱模拟图
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