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190824656

木虫 (正式写手)

[求助] 微谱求化合物结构

碳谱数据如下:
23.1,29.9, 39.1,62.5,64.1, 69.7, 73.5, 82.9, 90.2,128.1,129.3,170.8,172.4,176.3,178.7
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lhwppkk

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【答案】应助回帖

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感谢参与,应助指数 +1
PSA: 金币+1, 3u 2013-09-06 16:32:20
190824656: 金币+10 2013-09-06 17:13:10
查询结果:共查到23个化合物(查询结果仅供参考)
1 .     Hexakis [6-O-(N-acetyl-L-phenylalanyl)]-αcyclodextrin
C102H126N6O42     相似度:60%
Bioorganic & Medicinal Chemistry          2011          19          4307-4311
Synthesis of new series of α-cyclodextrin esters as dopamine carrier molecule
Seyed Mohammad Seyedi, Hamid Sadeghian, Atena Jabbari, Amir Assadieskandar, Hamideh Momeni
Structure      13C NMR   碳谱模拟图
2 .     2,3-O-Benzylidene-1,5-di-O-(3-methylbutyryl)-α/β-D-apiofuranose
C22H30O7     相似度:56.2%
Tetrahedron          2011          67          8276-8292
Total synthesis of cucurbitoside-like phenolic glycosides by double fluorous and acyl mixture synthesis
Masaru Kojima, Yutaka Nakamura, Kazuki Komori, Shoji Akai , Ken-ichi Sato , Seiji Takeuchi
Structure      13C NMR   碳谱模拟图
3 .     desulfo-4-benzoyloxybutyl
    相似度:53.3%
Phytochemistry          2002          59          663-671
Benzoic acid glucosinolate esters and other glucosinolates from Arabidopsis thaliana
Michael Reichelt, Paul D. Brown, Bernd Schneider, Neil J. Oldham, Einar Stauber,Jim Tokuhisa, Daniel J. Kliebenstein, Thomas Mitchell-Olds, Jonathan Gershenzon
Structure      13C NMR   碳谱模拟图
4 .     compound 17
C17H26O4     相似度:53.3%
Tetrahedron Letters          2002          43          5229-5232
Stereospecific synthesis of cis–trans-dicyclohexano-18-crown-6 and K+ complexation by the five dicyclohexano-18-crown-6 isomers
Kazuhiro Yamato, Fernando A Fernandez, Howard F Vogel, Richard A Bartsch, Mark L Dietz
Structure      13C NMR   碳谱模拟图
5 .     (R)-Ethyl 2-(benzyloxycarbonylamino)-4-(4,5-dihydrothiazol-2-yl)butanoate
C17H22N2O4S     相似度:53.3%
Tetrahedron          2012          68          1272-1279
Employing lactams for the unprecedented enantiopure synthesis of non-natural amino acid derivatives
Imran A. Khan, Anil K. Saxena
Structure      13C NMR   碳谱模拟图
6 .     compound 6b-1
C17H22O5     相似度:53.3%
Organic & Biomolecular Chemistry          2004          2          2777-2785
Stereoselective synthesis and structure of butalactin and lactone II isolated from Streptomyces species
Toshihiko Ueki and Takamasa Kinoshita
Structure      13C NMR   碳谱模拟图
7 .     L-pyroMeGlu-L-Phe-OEt
    相似度:53.3%
Tetrahedron          2004          60          7053-7059
Kendarimide A, a novel peptide reversing P-glycoprotein-mediated multidrug resistance in tumor cells, from a marine sponge of Haliclona sp.
Shunji Aoki, Liwei Cao, Kouhei Matsui, Rachmaniar Rachmat, Shin-ichi Akiyama, Motomasa Kobayashi
Structure      13C NMR   碳谱模拟图
8 .     N-acetyl-L-phenylalanylazasarcosine isobutyl ester
    相似度:53.3%
Journal of Medicinal Chemistry          1992          35          4279-4283
Cysteine protease inhibition by azapeptide esters
Joe Magrath, Robert H. Abeles
Structure      13C NMR   碳谱模拟图
9 .     L-pipecolyl-L-phenylalanine tert-butyl ester
    相似度:53.3%
Journal of Medicinal Chemistry          1992          35          4284-4296
Design and synthesis of novel FKBP inhibitors
James R. Hauske, Peter Dorff, Susan Julin, Joseph DiBrino, Robin Spencer, Rebecca Williams
Structure      13C NMR   碳谱模拟图
10 .     compound
    相似度:53.3%
Heterocycles          2012          86          565-598
ASSEMBLY OF THE SOUTHERN MACROCYCLIC HALF OF (+)-SPIRASTRELLOLIDE A THROUGH CYCLIC ACETAL TETHERED RING-CLOSING METATHESIS AND 1,3-ANTI-MUKAIYAMA-ALDOL
Yu Tang,* Jin-Haek Yang, Jia Liu, Chao-Chao Wang, Ming-Can Lv, Yi-Biao Wu, Xue-Liang Yu, Changhong Ko, and Richard Hsung
Structure      13C NMR   碳谱模拟图
11 .     Hexakis [6-O-(N-acetyl-L-valyl)]-α-cyclodextrin
C76H126N6O42     相似度:53.3%
Bioorganic & Medicinal Chemistry          2011          19          4307-4311
Synthesis of new series of α-cyclodextrin esters as dopamine carrier molecule
Seyed Mohammad Seyedi, Hamid Sadeghian, Atena Jabbari, Amir Assadieskandar, Hamideh Momeni
Structure      13C NMR   碳谱模拟图
12 .     Hexakis [6-O-(N-acetyl-L-metionyl)]-α-cyclodextrin
C78H126N6O42S6     相似度:53.3%
Bioorganic & Medicinal Chemistry          2011          19          4307-4311
Synthesis of new series of α-cyclodextrin esters as dopamine carrier molecule
Seyed Mohammad Seyedi, Hamid Sadeghian, Atena Jabbari, Amir Assadieskandar, Hamideh Momeni
Structure      13C NMR   碳谱模拟图
13 .     2,7-Dimethylocta-3,5-diyne-2,7-diyl bis-4,6-di-O-acetyl-2,3-dideoxyα-D-erythro-hex-2-enopyranoside
C30H38O12     相似度:53.3%
Tetrahedron          2012          68          8645-8654
Stereoselective synthesis of pseudoglycosides catalyzed by TeCl4 under mild conditions
Juliano C.R. Freitas, Túlio R. Couto, Antônio A.S. Paulino, João R. de Freitas Filho, Ivani Malvestiti, Roberta A. Oliveira, Paulo H. Menezes
Structure      13C NMR   碳谱模拟图
14 .     2,7-Dimethylocta-3,5-diyne-2,7-diyl bis-4,6-di-O-acetyl-2,3-dideoxy-α-D-erythro-hex-2-enopyranoside
    相似度:53.3%
Tetrahedron          2012          68          10611-10620
Stereoselective synthesis of pseudoglycosides catalyzed by TeCl4 under mild conditions
Juliano C.R. Freitas, Túlio R. Couto, Antônio A.S. Paulino, João R. de Freitas Filho, Ivani Malvestiti, Roberta A. Oliveira, Paulo H. Menezes
Structure      13C NMR   碳谱模拟图
15 .     3-[2-(2-Benzyloxyethoxy)ethoxycarbonyl]propanoic acid
    相似度:53.3%
Steroids          2013          78          435-453
New propanoyloxy derivatives of 5β-cholan-24-oic acid as drug absorption modifiers
Lenka Coufalová, Lech Mrózek, Lucie Rárová, Lukáš Plaček, Radka Opatřilová, Jiří Dohnal, Katarína Král’ová, Oldřich Paleta, Vladimír Král, Pavel Drašar, Josef Jampílek
Structure      13C NMR   碳谱模拟图
16 .     [15-(13)C2H3]-3α-acetoxy-dihydro-epi-deoxyartean-nuin B
C17H24O4     相似度:52.9%
Tetrahedron          2007          63          9536-9547
In vivo transformations of dihydro-epi-deoxyarteannuin B in Artemisia annua plants
Geoffrey D. Brown, Lai-King Sy
Structure      13C NMR   碳谱模拟图
17 .     Piv-L-Pro-(1S,2R)-c6Phe-NHMe
    相似度:50%
Tetrahedron Letters          2005          46          8377-8380
Model dipeptides incorporating the trans cyclohexane analogues of phenylalanine: further evidence of the relationship between side-chain orientation and β-turn type
Marta Lasa, Ana I. Jiménez, María M. Zurbano, Carlos Cativiela
Structure      13C NMR   碳谱模拟图
18 .     (R)-Ethyl-2-((benzyloxycarbonyl) (methyl)amino)-4-(4,5-dihydrothiazol-2-yl)butanoate
C18H24N2O4S     相似度:50%
Tetrahedron          2012          68          1272-1279
Employing lactams for the unprecedented enantiopure synthesis of non-natural amino acid derivatives
Imran A. Khan, Anil K. Saxena
Structure      13C NMR   碳谱模拟图
19 .     (E)-3-((2-methylthiazol-4-yl)ethynyl)cyclohex-2-enoneO-2-(2-fluoroethoxy)ethyl oxime
C16H19FN2O2S     相似度:50%
Bioorganic & Medicinal Chemistry          2010          18          6044-6054
Syntheses and pharmacological characterization of novel thiazole derivatives as potential mGluR5 PET ligands
Cindy A. Baumann, Linjing Mu, Nicole Wertli, Stefanie D. Krämer, Michael Honer, Pius A. Schubiger, Simon M. Ametamey
Structure      13C NMR   碳谱模拟图
20 .     Amphiasterin C1
C27H45NO6     相似度:50%
Tetrahedron          2001          57          257-263
Amphiasterins: a new family of cytotoxic metabolites from the marine sponge Plakortis quasiamphiaster
Angela Zampella, Clelia Giannini, Cécile Debitus, Maria Valeria D'Auria
Structure      13C NMR   碳谱模拟图
21 .     compound (-)-20a
C16H24O5     相似度:50%
European Journal of Organic Chemistry          2011                   6690-6697
Total Synthesis of Both Enantiomers of Macrocyclic Lactone Aspergillide C
P. Srihari and Y. Sridhar
Structure      13C NMR   碳谱模拟图
22 .     1-O-octadecyl-2-(4-phenyloxy-4-oxobutanoyl)-snglycero-3-phospho-(S)-glycerol
C34H58O11PNa     相似度:50%
Bioorganic & Medicinal Chemistry          2012          20          3972-3978
Synthesis of tocopheryl succinate phospholipid conjugates and monitoring of phospholipase A2 activity
Palle J. Pedersen, Hélène M.-F. Viart, Fredrik Melander, Thomas L. Andresen, Robert Madsen, Mads H. Clausen
Structure      13C NMR   碳谱模拟图
23 .     Methyl 2-acetamido-1-S-acetyl-2-deoxy-3,4-di-O-pivaloyl-1-thio-β-D-glucopyranuronate
C21H33NO9S     相似度:50%
Bioorganic & Medicinal Chemistry          2006          14          1518-1537
Modelling, synthesis and biological evaluation of novel glucuronide-based probes of Vibrio cholerae sialidase
Maretta C. Mann, Robin J. Thomson, Jeffrey C. Dyason, Sarah McAtamney, Mark von Itzstein
Structure      13C NMR   碳谱模拟图
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