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ralonxu

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化合物1:28.2,33.6,35.9,42.5,60.6,84.1,92.9,176.0
化合物2:27.6,33.6,35.7,41.3,56.6,83.1,91.7,175.1
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铁杆木虫 (著名写手)

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jiangchunyong: 金币+1, 谢谢 2013-04-23 13:35:07
ralonxu(jiangchunyong代发): 金币+10 2013-04-23 13:35:23
化合物1:

1 .     1-adamantylthioacetic acid N-ethylhydroxylamide
C14H23NOS     相似度:62.5%
Russian Journal of Organic Chemistry          2011          47          1209-1213
New convenient method for preparation of amides of 1-adamantylthioacetic acids
A. A. Shchipalkin, M. L. Petrov and V. A. Kuznetsov
Structure      13C NMR   碳谱模拟图
2 .     compound 6b
    相似度:55.5%
Heterocycles          2007          71          379-388
Microwave-Assisted Dehydrosulphurization: An Efficient, Solvent-Free Synthesis of 5-(1-Adamantyl)-2-arylamino-1, 2, 4-triazolo[3, 4-b][1, 3, 4]thiadiazoles
Ebtehal S. Al-Abdullah, Ihsan A. Shehata, Omar A. Al-Deeb, and Ali A. El-Emam
Structure      13C NMR   碳谱模拟图
3 .     trans ethyl 4-triethylsilanyloxycyclohenexanecarboxylate
    相似度:55.5%
Chemical & Pharmaceutical Bulletin          2012          60          882-886
A Concise Synthesis of a Very Late Antigen-4 Antagonist trans-4-[1-[[2,5-Dichloro-4-(1-methyl-3-indolylcarboxyamide)phenyl]acetyl]-(4S)-methoxy-(2S)-pyrrolidinylmethoxy]cyclohexanecarboxylic Acid via Reductive Etherification
Jun Chiba, Fumihito Muro, Masaki Setoguchi, Nobuo Machinaga
Structure      13C NMR   碳谱模拟图
4 .     methyl 4-prop-2-ynylcyclohexanecarboxylate
    相似度:55.5%
Journal of Medicinal Chemistry          2001          44          531-539
Design, Synthesis, and Evaluation of Novel A2A Adenosine Receptor Agonists
Jayson M. Rieger, Milton L. Brown, Gail W. Sullivan, Joel Linden, and Timothy L. Macdonald
Structure      13C NMR   碳谱模拟图
5 .     compound 28
    相似度:55.5%
Organic Magnetic Resonance          1983          21         
Carbon-13 NMR spectra and the method for their calculation for long-chain polybranched carboxylic acids and their derivatives
V. I. Dostovalova, A. B. Terent'ev, N. S. Ikonnikov and R. Kh. Freidlina
Structure      13C NMR   碳谱模拟图
6 .     cleroindicin C
C8H12O3     相似度:50%
Journal of Natural Products          1997          60          766-769
New Cleroindicins from Clerodendrum indicum
Jun Tian, Qin-Shi Zhao, Hong-Jie Zhang, Zhong-Wen Lin, and Han-Dong Sun
Structure      13C NMR   碳谱模拟图
7 .     12-Thiatridecanamide
    相似度:50%
Chemistry of Natural Compounds          1992          28          85-87
SYNTHESIS OF THE RACEMIC ALKALOID DIPTALINE
A. G. Tolstikov, L. A. Biktimirova, O. V. Tolstikova,V. S. Shmakov, E. M. Vyrypaev, and G. A. Tolstikov
Structure      13C NMR   碳谱模拟图
8 .     cleroindicin C
C8H12O3     相似度:50%
Chinese Chemical Letters          1997          8          129-132
FIVE NEW COMPOUNDS FROM CLERODENDRUM INDICUM
JUN TIAN,QIN SHI ZHAO,HONG JIE ZHANG ,ZHONG WEN LIN AND HAN DONG SUN
Structure      13C NMR   碳谱模拟图
9 .     laccarin
    相似度:50%
Natural Product Research          2004          18          159-162
Alkaloids from the fungus Lactarius subplinthogalus
Ying Wang; Sheng-Ping Yang; Yan Wu; Jian-Min Yue
Structure      13C NMR   碳谱模拟图
10 .     1β-Amino-2α,3β,5β-trihydroxycycloheptane
C7H15O3N     相似度:50%
Phytochemistry          1996          42          719-721
1β-amino-2α, 3β, 5β-trihydroxycycloheptane from Physalis alkekengi var. francheti
Naoki Asano, Atsushi Kato, Haruhisa Kizu, Katsuhiko Matsui
Structure      13C NMR   碳谱模拟图
11 .     compound 17
C8H12O3     相似度:50%
Phytochemistry          1995          39          235-241
Cyclohexylethanoids and related glucosides from Millingtonia hortensis
Takeshi Hase, Yuka Kawamoto, Kazuhiro Ohtani, Ryoji Kasai, Kazuo Yamasaki, Chayan Picheansoonthon
Structure      13C NMR   碳谱模拟图
12 .     trans-4-Hydroxycyclohexanecarboxylic Acid tert-Butyl Ester
C11H20O3     相似度:50%
Chemical & Pharmaceutical Bulletin          2011          59(5)          574-578
A Novel Synthetic Approach to Very Late Antigen-4 Antagonist trans-4-[1-[[2,5-Dichloro-4-(1-methyl-3-indolylcarboxyamide)phenyl]acetyl]-(4S)-methoxy-(2S)-pyrrolidinylmethoxy]cyclohexanecarboxylic Acid via tert-Butyl trans-[(4S)-Methoxy-(2S)-pyrrolidinylme
Jun CHIBA and Nobuo MACHINAGA
Structure      13C NMR   碳谱模拟图
13 .     Compound I-15
    相似度:50%
Helvetica Chimica Acta          1978          61          2596-2606
13C-NMR. Spectra of 4-Substituted Quinuclidines. Polar effects, Part V
Konrad B. Becker and Cyril A. Grob
Structure      13C NMR   碳谱模拟图
14 .     1,2-Bis(4-hydroxybutyl)-1,2-dicarba-closo-dodecaborane
C10H28B10O2     相似度:50%
Bioorganic & Medicinal Chemistry          2011          19          1721-1728
Synthesis and evaluation of cyclic RGD-boron cluster conjugates to develop tumor-selective boron carriers for boron neutron capture therapy
Sadaaki Kimura , Shin-ichiro Masunaga, Tomohiro Harada, Yasuo Kawamura, Satoshi Ueda,Kensuke Okuda, Hideko Nagasawa
Structure      13C NMR   碳谱模拟图
15 .     (3aS,7aR)-3a-Hydroxy-3a,4,7,7a-tetrahydro-1-benzofuran-2(3H)-one
C8H10O3     相似度:50%
Zeitschrift für Naturforschung B          2005          60b          63-66
2-Alkyl-3, 4-dihydroxy-5-hydroxymethylpyridine Derivatives:New Natural Vitamin B6 Analogues from a Terrestrial Streptomyces sp.
Rajendra P. Maskey, Felix Huth, Iris Grün-Wollny, and Hartmut Laatsch
Structure      13C NMR   碳谱模拟图
16 .     2-methyl-5-oxotetrahydrofuran-2-carboxylic acid
    相似度:50%
Tetrahedron Letters          2000          41          6883-6887
Asymmetric oxidation of 1,2-cyclopentanediones
Anne Paju, Tõnis Kanger, Tõnis Pehk, Margus Lopp
Structure      13C NMR   碳谱模拟图
17 .     compound (Z)-3(X=F)
    相似度:50%
Organic letters          2000          2          831-834
Hyperconjugative Control by Remote Substituents of Diastereoselectivity in the Oxygenation of Hydrocarbons
María E. González-Nuñez, Jorge Royo, Gloria Castellano, Cecilia Andreu, Carmen Boix, Rossella Mello, and Gregorio Asensio
Structure      13C NMR   碳谱模拟图
18 .     compound (E)-3(X=OTs)
    相似度:50%
Organic letters          2000          2          831-834
Hyperconjugative Control by Remote Substituents of Diastereoselectivity in the Oxygenation of Hydrocarbons
María E. González-Nuñez, Jorge Royo, Gloria Castellano, Cecilia Andreu, Carmen Boix, Rossella Mello, and Gregorio Asensio
Structure      13C NMR   碳谱模拟图
19 .     1,3-propanediol bis(tropane-3-carboxylate)
C21H34N2O4     相似度:50%
Journal of Heterocyclic Chemistry          2007          44          1425-1430
Synthesis and nicotinic acetylcholine receptor affinity of bivalent tropane-3-carboxylates
Suhong Zhang,Jie Cheng,Ying Liu,Liang Xu,Mark L. Trudell,Sari Izenwasser and Dean Wade
Structure      13C NMR   碳谱模拟图
20 .     1,3-propanediol bis(tropane-3β-carboxylate)
C21H34N2O4     相似度:50%
Journal of Heterocyclic Chemistry          2007          44          1425-1430
Synthesis and nicotinic acetylcholine receptor affinity of bivalent tropane-3-carboxylates
Suhong Zhang,Jie Cheng,Ying Liu,Liang Xu,Mark L. Trudell,Sari Izenwasser and Dean Wade
Structure      13C NMR   碳谱模拟图
21 .     2-Amino-4,5-dihydro-3-methanesulfonylthiophene
C5H9NO2S2     相似度:50%
Journal of Heterocyclic Chemistry          2005          42          955-958
Synthesis of 2-amino-4,5-dihydro-3-methanesulfonylfurans (and-thiophenes)
Kenji Yamagata,Fumi Okabe,Hiroshi Maruoka and Yoshinobu Tagawa
Structure      13C NMR   碳谱模拟图
22 .     Compound 3 trans
    相似度:50%
Magnetic Resonance in Chemistry          2010          48          356-361
Relative acidities and structure analysis of cis and trans isomers of 1, 5-oxazaspiro[5.5] undecane derivatives by multinuclear magnetic resonance (pages 356–361)
Jorge Antonio Guerrero-Álvarez, Wendy Paloma Mas-Ku, Cesar Garcías-Morales and Armando Ariza-Castolo
Structure      13C NMR   碳谱模拟图
23 .     Compound 3 cis
    相似度:50%
Magnetic Resonance in Chemistry          2010          48          356-361
Relative acidities and structure analysis of cis and trans isomers of 1, 5-oxazaspiro[5.5] undecane derivatives by multinuclear magnetic resonance (pages 356–361)
Jorge Antonio Guerrero-Álvarez, Wendy Paloma Mas-Ku, Cesar Garcías-Morales and Armando Ariza-Castolo
Structure      13C NMR   碳谱模拟图
24 .     endo-6-methylbicyclo[3.2.0]hept-2-ene
    相似度:50%
Tetrahedron Letters          2001          42          195-197
Thermal reactions of endo- and exo-6-methylbicyclo[3.2.0]hept-2-enes: an experimental test for a potential ring inversion
John E Baldwin, Phyllis A Leber
Structure      13C NMR   碳谱模拟图

化合物2:

1 .     1β-Amino-2α,3β,5β-trihydroxycycloheptane
C7H15O3N     相似度:62.5%
Phytochemistry          1996          42          719-721
1β-amino-2α, 3β, 5β-trihydroxycycloheptane from Physalis alkekengi var. francheti
Naoki Asano, Atsushi Kato, Haruhisa Kizu, Katsuhiko Matsui
Structure      13C NMR   碳谱模拟图
2 .     compound 1c
C9H15O5NS     相似度:55.5%
Tetrahedron Letters          2002          43          115-118
Synthesis of all isomers of pulcherrimine, a bitter principle in the sea urchin ovary
Noriko U Sata, Ryuji Kuwahara, Yuko Murata
Structure      13C NMR   碳谱模拟图
3 .     compound 1d
C9H15O5NS     相似度:55.5%
Tetrahedron Letters          2002          43          115-118
Synthesis of all isomers of pulcherrimine, a bitter principle in the sea urchin ovary
Noriko U Sata, Ryuji Kuwahara, Yuko Murata
Structure      13C NMR   碳谱模拟图
4 .     5-methyl-1-(2-thioxothiazolidin-3-yl)hexane-1,4-dione
C10H15NO2S2     相似度:55.5%
Bioorganic & Medicinal Chemistry          2012          20          4056-4063
Polymer conjugates of acridine-type anticancer drugs with pH-controlled activation
Ondřej Sedláček, Martin Hrubý, Martin Studenovský, David Větvička, Jan Svoboda, Dana Kaňková, Jan Kovář, Karel Ulbrich
Structure      13C NMR   碳谱模拟图
5 .     compound 10
    相似度:50%
Chemical & Pharmaceutical Bulletin          2000          48(4)          547-551
Glochidionolactones A-F : Butenolide Glucosides from Leaves of Glochidion zeylanicum (GAERTN) A. JUSS
Hideaki OTSUKA,Eiji HIRATA,Anki TAKUSHI,Takakazu SHINZATO,Yoshio TAKEDA,Masahiko BANDO and Masaru KIDO
Structure      13C NMR   碳谱模拟图
6 .     compound 1
C8H12N2O4     相似度:50%
Journal of Natural Products          1998          61          387-389
A New Lysine Derivative and New 3-Bromopyrrole Carboxylic Acid Derivative from Two Marine Sponges
Cong-Jun Li, Francis J. Schmitz, and Michelle Kelly-Borges
Structure      13C NMR   碳谱模拟图
7 .     (1S,2S)-2-Methyl-1-cyclohexylamine
    相似度:50%
Molecules          2004          9          405-426
Synthesis of Chiral Building Blocks for Use in Drug Discovery
Sharon T. Marino, Danuta Stachurska-Buczek, Daniel A. Huggins, Beata M. Krywult, Craig S. Sheehan, Thao Nguyen, Neil Choi, Jack G. Parsons, Peter G. Griffiths, Ian W. James, Andrew M. Bray, Jonathan M. White and Rustum S. Boyce
Structure      13C NMR   碳谱模拟图
8 .     N2-(2'S')-bis(1',3'-methoxycarbonyl)ethyl] 1,2,5-thiadiazolidine 1,1-dioxide
C8H14O6N2S     相似度:50%
Molecules          2005          10          1387-1398
N, N’-Substituted 1, 2, 5 Thiadiazolidine 1, 1-Dioxides: Synthesis, Selected Chemical and Spectral Proprieties and Antimicrobial Evaluation
A. Bendjeddou, R. Djeribi, Z. Regainia and N. Aouf
Structure      13C NMR   碳谱模拟图
9 .     γ-glutamyl-S-ethenylcysteine
C10H16N2O5S     相似度:50%
Phytochemistry          1998          48          643-645
γ-Glutamyl-S-ethenylcysteine: a dipeptide from Vicia narbonensis
Dirk Enneking, Ian M. Delaere, Max E. Tate
Structure      13C NMR   碳谱模拟图
10 .     1,3-Bis(4,5-dihydro-1H-imidazol-2-yl)adamantane dihydrochloride
C16H26N4Cl2     相似度:50%
Canadian Journal of Chemistry          2006          84          905-914
Cucurbit[7]uril host-guest complexes with cationic bis(4,5-dihydro-1H-imidazol-2-yl) guests in aqueous solution
D. Saroja N. Hettiarachchi and Donal H. Macartney
Structure      13C NMR   碳谱模拟图
11 .     (3aS,7aR)-3a-Hydroxy-3a,4,7,7a-tetrahydro-1-benzofuran-2(3H)-one
C8H10O3     相似度:50%
Zeitschrift für Naturforschung B          2005          60b          63-66
2-Alkyl-3, 4-dihydroxy-5-hydroxymethylpyridine Derivatives:New Natural Vitamin B6 Analogues from a Terrestrial Streptomyces sp.
Rajendra P. Maskey, Felix Huth, Iris Grün-Wollny, and Hartmut Laatsch
Structure      13C NMR   碳谱模拟图
12 .     compound 6
    相似度:50%
Tetrahedron Letters          2000          41          1389-1392
Baker’s yeast reduction of α-alkyl-α-hydroxy-β-keto esters
Didier Buisson, Xavier Baucherel, Eric Levoirier, Sylvain Juge
Structure      13C NMR   碳谱模拟图
13 .     thiirene 1-oxide
    相似度:50%
Tetrahedron Letters          2000          41          8349-8352
Reactions of acetylenes, possessing bulky alkyl substituents, with S2Cl2. Unexpected formation of α-oxothioketones, thiirene 1-oxides, and 1,2-dithietes
Juzo Nakayama, Kenta Takahashi, Toshiaki Watanabe, Yoshiaki Sugihara, Akihiko Ishii
Structure      13C NMR   碳谱模拟图
14 .     densispicnin
C10H16O3     相似度:50%
Heterocycles          2008          75          177-181
Densispicnins A and B, Two Unusual Monoterpenes from Pedicularis densispica Franch.
Hong-biao Chu, Du-qiang Luo, Ning-hua Tan, and Xuan Tian
Structure      13C NMR   碳谱模拟图
15 .     2-(1'-adamantyl)imidazoline
C13H20N2     相似度:50%
Heterocycles          2008          76          507-514
Efficient Preparation of 2-Imidazolines from Aldehydes and Ethylenediamines with 1, 3-Diiodo-5, 5-dimethylhydantoin
Shogo Takahashi and Hideo Togo
Structure      13C NMR   碳谱模拟图
16 .     Compound 12
    相似度:50%
Magnetic Resonance in Chemistry          2006          44          790-796
Stereoelectronic and inductive effects on 1H and 13C NMR chemical shifts of some cis-1, 3-disubstituted cyclohexanes (pages 790–796)
Paulo R. de Oliveira, Ljubica Tasic, Silvana A. Rocco and Roberto Rittner
Structure      13C NMR   碳谱模拟图
17 .     cleroindicin C
    相似度:50%
Chemistry of Natural Compounds          2010          46          109-111
Chemical constituents of Incarvillea mairei var. grandiflora
Yong-Qing Su, Yun-Heng Shen, Jian Tang and Wei-Dong Zhang
Structure      13C NMR   碳谱模拟图
18 .     compound 3b
    相似度:50%
Tetrahedron Letters          2001          42          195-197
Thermal reactions of endo- and exo-6-methylbicyclo[3.2.0]hept-2-enes: an experimental test for a potential ring inversion
John E Baldwin, Phyllis A Leber
Structure      13C NMR   碳谱模拟图
19 .     cis-hexahydrocyclopentaoxazol-2-one
    相似度:50%
Tetrahedron Letters          2001          42          1449-1452
A facile synthesis of 2-oxazolidinones via Hofmann rearrangement mediated by bis(trifluoroacetoxy)iodobenzene
Chengzhi Yu, Yongying Jiang, Bin Liu, Longqin Hu
Structure      13C NMR   碳谱模拟图
20 .     compound 2c
    相似度:50%
Tetrahedron Letters          2001          42          4017-4019
A convenient synthesis of thiirene 1-oxides
Juzo Nakayama, Kenta Takahashi, Yoshiaki Sugihara, Akihiko Ishii
Structure      13C NMR   碳谱模拟图
艰难困苦,玉汝于成。
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