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真夜Mayo

铜虫 (初入文坛)

[求助] [求助] 求助微谱查询化合物结构

Fyc-17
13C NMR (400 MHz,Pyr) 18.3, 21.1, 28.6, 55.2, 64.5, 67.3, 71.1, 72.4, 124.0, 128.7, 137.7, 151.9, 153.6, 168.4, 180.6
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yaolan123

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【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与,应助指数 +1
真夜Mayo: 金币+10, 有帮助 2013-06-03 22:19:32
查询结果:共查到18个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------

1 .     9-angelylplatynecine
    相似度:60%
Phytochemistry          1993          33          1517-1519
Pyrrolizidine alkaloids from Senecio chrysocoma
M.Ruth Grue, J.Richard Liddell
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

2 .     3-(D-glucoheptonic-hexitol-1-yl)-4-(4-nitrobenzylidene)amino-1H-1,2,4-triazole-5-thione
C15H19N5O8S     相似度:53.3%
Molecules          2007          12          1202-1209
Synthesis and Biological Evaluation of Some Novel Schiff’s Bases from 1, 2, 4-Triazole
Xiao-Xia Ye, Zhen-Fei Chen, An-Jiang Zhang and Li-Xue Zhang
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

3 .     compound 8
    相似度:53.3%
Tetrahedron Letters          2000          41          1505-1508
L-Valinol and L-phenylalaninol-derived 2-imidazolidinones as chiral auxiliaries in asymmetric aldol reactions
Taek Hyeon Kim, Gue-Jae Lee
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

4 .     compound 11
    相似度:53.3%
Tetrahedron Letters          2000          41          7151-7155
Thalidomide metabolites and analogs. Part 2: Cyclic derivatives of 2-N-phthalimido-2S,3S (3-hydroxy) ornithine
Frederick A. Luzzio, Elizabeth M. Thomas, William D. Figg
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

5 .     (3S,6S)-6-benzyl-3-hexyl-3-(hydroxymethyl)piperazine-2,5-dione
C18H26N2O3     相似度:53.3%
Heterocycles          2009          79          781-789
Use of Diketopiperazines for Determining Absolute Configurations of α-Substituted Serines by 1H-NMR Spectroscopy
Shigeki Sano, Michiyasu Nakao, Masanori Takeyasu, Syuji Kitaike, Yasuko Yoshioka, and Yoshimitsu Nagao
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

6 .     7-Chloro-4-(4-chlorophenyl)-2-(2-methylprop-1-enyl)-6-nitro quinazoline
C18H13Cl2N3O2     相似度:53.3%
Molecules          2010          15          2949-2961
Regioselective Suzuki-Miyaura Reaction: Application to the Microwave-promoted Synthesis of 4,7-Diarylquinazolines
Youssef Kabri, Pierre Verhaeghe, Armand Gellis and Patrice Vanelle
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

7 .     (2S,5E)-7-acetoxy-1-tert-butyldiphenylsiloxy-5-hepten-1-ol
C25H34O4Si     相似度:53.3%
Heterocycles          2001          54          419-424
Synthesis of 2,5-Disubstituted Tetrahydrofurans Catalyzed by Palladium(0)
Osamu Hara,* Kazushige Fujii, Yasumasa Hamada, and Youji Sakagami
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

8 .     allyl 1,1-dioxo-6-(Z)-(2-pyridyl)methylenepenicillanate
    相似度:53.3%
The Journal of Antibiotics          1987          40          803-822
STRUCTURE-ACTIVITY RELATIONSHIPS OF 6-(HETEROCYCLYL) METHYLENE PENAM SULFONES; A NEW CLASS OF β-LACTAMASE INHIBITORS
YUHPYNG L. CHEN, Cnm-Wu CHANG, KIRK HEDBERG, KAREN GUARINO, WILLARD M. WELCH, LAURA KIESSLING, JAMES A. RETSEMA, SUZANNE L. HASKELL, MARGARET ANDERSON, MARY MANOUSOS, JOHN F. BARRETT
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

9 .     3,4,5-trimethoxycinnamyl angelic acid ester
C17H22O5     相似度:53.3%
Food Chemistry          2010          122          55-59
Novel modified furanoeremophilane-type sesquiterpenes and benzofuran derivatives from Ligularia veitchiana
Quan Liu, Ling Shen, Tong-Tong Wang, Chao-Jun Chen, Wei-Yan Qi, Kun Gao
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

10 .     methyl 2-[(benzyloxycarbonyl)amino]-2-(trifluoromethyl)pent-4-ynoate
C15H14F3NO4     相似度:53.3%
European Journal of Organic Chemistry          2010                   1587-1592
Synthesis of α-Alkynyl-β,β,β-trifluoroalanine Derivatives by Sonogashira Cross-Coupling Reaction
Grigorii T. Shchetnikov, Maria A. Zotova, Christian Bruneau, Pierre H. Dixneuf and Sergey N. Osipov
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

11 .     dimethyl 2,9-bis[(tert-butoxycarbonyl)amino]-2,9-bis(trifluoromethyl)deca-4,6-diynedioate
C24H30F6N2O8     相似度:53.3%
European Journal of Organic Chemistry          2010                   1587-1592
Synthesis of α-Alkynyl-β,β,β-trifluoroalanine Derivatives by Sonogashira Cross-Coupling Reaction
Grigorii T. Shchetnikov, Maria A. Zotova, Christian Bruneau, Pierre H. Dixneuf and Sergey N. Osipov
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

12 .     1,2,3,4-Tetrahydro-β-carboline N-oxide
    相似度:53.3%
Natural Product Communications          2009          4          797-802
DMD Mediated Formal Synthesis of (±)-Coerulescine
Oscar R. Suárez-Castilloa,, Myriam Meléndez-Rodrígueza, Yaneth M. A. Contreras-Martíneza,Alejandro Álvarez-Hernándeza, Martha S. Morales-Ríosb and Pedro Joseph-Nathan
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

13 .     1,3-bis(4-((3,4,5-(trimethoxy)phenyl)-N-acetyl-pyrazolin-5-yl)phenoxy)propane
C43H48N4O10     相似度:52.9%
Journal of Heterocyclic Chemistry          2008          45          1521-1524
Synthesis of new bis-3,5-diphenylpyrazolines derivatives linked with alkyl chains
Braulio Insuasty,Henry Martinez,Jairo Quiroga,Rodrigo Abonía,Manuel Nogueras and Justo Cobo
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

14 .     3-(1-methylethyl)-2-(3-methylphenylimino)-2,3-dihydropyrido[3,2-e]-1,3-thiazin-4-one
C17H17N3OS     相似度:50%
Heterocycles          2009          78          1041-1046
One-Pot Synthesis of 2-Arylimino-2,3-dihydropyrido[3,2-e]-1,3-thiazin-4-ones by the Reaction of Secondary 2-Chloropyridine-3-carboxamides with Aryl Isothiocyanates
Kazuhiro Kobayashi, Toshihide Komatsu, Daizo Nakamura, and Hisatoshi Konishi
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

15 .     compound 3
    相似度:50%
Tetrahedron letters          1983          24          2771-2774
Bioactive marine metabolites III. A novel polyacetylene alcohol, inhibitor of cell division in fertilized sea urchin eggs, from the marine sponge tetrosia sp.
N Fusetani, Y Kato, S Matsunaga, K Hashimoto
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

16 .     4,5,6,7,8-Pentahydroxy-3-tosyldecahydronaphtho [2,1-d] oxazol-2(9bH)-one
    相似度:50%
Tetrahedron          2012          68          1886-1893
Oxazolidinone polycyclitols. Stereospecific synthesis of novel aminocarbasugars with oxazolidinone ring
Latif Kelebekli, Neslihan Balcı, Ertan Şahin
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

17 .     benzastatin F
C18H26N2O2     相似度:50%
Tetrahedron          1997          53          4309-4316
Benzastatins E, F, and G: New indoline alkaloids with neuronal cell protecting activity from Streptomyces nitrosporeus
Won-Gon Kim, Jong-Pyung Kim, Hiroyuki Koshino, Kazuo Shin-Ya, Haruo Seto, Ick-Dong Yoo
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

18 .     Methyl 2-Deoxy-2-{{[(4-nitrobenzoyl)amino]thioxomethyl}amino}-β-d-glucopyranoside 3,4,6-Triacetate
C21H25N3O11S     相似度:50%
Helvetica Chimica Acta          2013          96          280-288
Synthesis and Metal Complexes of Thiourea Ligands Containing Carbohydrate-Derived Substituents
Michelle Sternberg, Jörg Rust, Christian W. Lehmann and Fabian Mohr
Structure      13C NMR   碳谱模拟图
微微一笑
2楼2013-06-03 22:01:21
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

fu_jian2008

金虫 (著名写手)

【答案】应助回帖

感谢参与,应助指数 +1
查询模式:模糊查询  
碳谱数据输入:
按从小到大顺序输入,数字间用英文半角逗号(,)分隔例如:
21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2
18.3, 21.1, 28.6, 55.2, 64.5, 67.3, 71.1, 72.4, 124.0, 128.7, 137.7, 151.9, 153.6, 168.4, 180.6  
溶剂选项: 全部 CDCl3 CD3CD2OD CD2Cl2 C5D5N C3D7NO CD3SOCD3 C4D8O (CH3)4Si C4D8O2 CD3COOD C4D8O2 H2O D2O CF3COOD CD3OD ND3 CD3COCD3 C6D6 CD3CN 查询空值  
匹配容差: (数字格式,可自行设定)
相似度:  %(相似度>=50%)  




查询结果:共查到15个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------

1 .     9-angelylplatynecine
    相似度:60%
Phytochemistry          1993          33          1517-1519
Pyrrolizidine alkaloids from Senecio chrysocoma
M.Ruth Grue, J.Richard Liddell
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

2 .     compound 8
    相似度:53.3%
Tetrahedron Letters          2000          41          1505-1508
L-Valinol and L-phenylalaninol-derived 2-imidazolidinones as chiral auxiliaries in asymmetric aldol reactions
Taek Hyeon Kim, Gue-Jae Lee
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

3 .     compound 11
    相似度:53.3%
Tetrahedron Letters          2000          41          7151-7155
Thalidomide metabolites and analogs. Part 2: Cyclic derivatives of 2-N-phthalimido-2S,3S (3-hydroxy) ornithine
Frederick A. Luzzio, Elizabeth M. Thomas, William D. Figg
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

4 .     7-Chloro-4-(4-chlorophenyl)-2-(2-methylprop-1-enyl)-6-nitro quinazoline
C18H13Cl2N3O2     相似度:53.3%
Molecules          2010          15          2949-2961
Regioselective Suzuki-Miyaura Reaction: Application to the Microwave-promoted Synthesis of 4,7-Diarylquinazolines
Youssef Kabri, Pierre Verhaeghe, Armand Gellis and Patrice Vanelle
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

5 .     (2S,5E)-7-acetoxy-1-tert-butyldiphenylsiloxy-5-hepten-1-ol
C25H34O4Si     相似度:53.3%
Heterocycles          2001          54          419-424
Synthesis of 2,5-Disubstituted Tetrahydrofurans Catalyzed by Palladium(0)
Osamu Hara,* Kazushige Fujii, Yasumasa Hamada, and Youji Sakagami
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

6 .     allyl 1,1-dioxo-6-(Z)-(2-pyridyl)methylenepenicillanate
    相似度:53.3%
The Journal of Antibiotics          1987          40          803-822
STRUCTURE-ACTIVITY RELATIONSHIPS OF 6-(HETEROCYCLYL) METHYLENE PENAM SULFONES; A NEW CLASS OF β-LACTAMASE INHIBITORS
YUHPYNG L. CHEN, Cnm-Wu CHANG, KIRK HEDBERG, KAREN GUARINO, WILLARD M. WELCH, LAURA KIESSLING, JAMES A. RETSEMA, SUZANNE L. HASKELL, MARGARET ANDERSON, MARY MANOUSOS, JOHN F. BARRETT
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

7 .     3,4,5-trimethoxycinnamyl angelic acid ester
C17H22O5     相似度:53.3%
Food Chemistry          2010          122          55-59
Novel modified furanoeremophilane-type sesquiterpenes and benzofuran derivatives from Ligularia veitchiana
Quan Liu, Ling Shen, Tong-Tong Wang, Chao-Jun Chen, Wei-Yan Qi, Kun Gao
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

8 .     methyl 2-[(benzyloxycarbonyl)amino]-2-(trifluoromethyl)pent-4-ynoate
C15H14F3NO4     相似度:53.3%
European Journal of Organic Chemistry          2010                   1587-1592
Synthesis of α-Alkynyl-β,β,β-trifluoroalanine Derivatives by Sonogashira Cross-Coupling Reaction
Grigorii T. Shchetnikov, Maria A. Zotova, Christian Bruneau, Pierre H. Dixneuf and Sergey N. Osipov
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

9 .     dimethyl 2,9-bis[(tert-butoxycarbonyl)amino]-2,9-bis(trifluoromethyl)deca-4,6-diynedioate
C24H30F6N2O8     相似度:53.3%
European Journal of Organic Chemistry          2010                   1587-1592
Synthesis of α-Alkynyl-β,β,β-trifluoroalanine Derivatives by Sonogashira Cross-Coupling Reaction
Grigorii T. Shchetnikov, Maria A. Zotova, Christian Bruneau, Pierre H. Dixneuf and Sergey N. Osipov
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

10 .     1,3-bis(4-((3,4,5-(trimethoxy)phenyl)-N-acetyl-pyrazolin-5-yl)phenoxy)propane
C43H48N4O10     相似度:52.9%
Journal of Heterocyclic Chemistry          2008          45          1521-1524
Synthesis of new bis-3,5-diphenylpyrazolines derivatives linked with alkyl chains
Braulio Insuasty,Henry Martinez,Jairo Quiroga,Rodrigo Abonía,Manuel Nogueras and Justo Cobo
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

11 .     3-(1-methylethyl)-2-(3-methylphenylimino)-2,3-dihydropyrido[3,2-e]-1,3-thiazin-4-one
C17H17N3OS     相似度:50%
Heterocycles          2009          78          1041-1046
One-Pot Synthesis of 2-Arylimino-2,3-dihydropyrido[3,2-e]-1,3-thiazin-4-ones by the Reaction of Secondary 2-Chloropyridine-3-carboxamides with Aryl Isothiocyanates
Kazuhiro Kobayashi, Toshihide Komatsu, Daizo Nakamura, and Hisatoshi Konishi
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

12 .     compound 3
    相似度:50%
Tetrahedron letters          1983          24          2771-2774
Bioactive marine metabolites III. A novel polyacetylene alcohol, inhibitor of cell division in fertilized sea urchin eggs, from the marine sponge tetrosia sp.
N Fusetani, Y Kato, S Matsunaga, K Hashimoto
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

13 .     4,5,6,7,8-Pentahydroxy-3-tosyldecahydronaphtho [2,1-d] oxazol-2(9bH)-one
    相似度:50%
Tetrahedron          2012          68          1886-1893
Oxazolidinone polycyclitols. Stereospecific synthesis of novel aminocarbasugars with oxazolidinone ring
Latif Kelebekli, Neslihan Balcı, Ertan Şahin
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

14 .     benzastatin F
C18H26N2O2     相似度:50%
Tetrahedron          1997          53          4309-4316
Benzastatins E, F, and G: New indoline alkaloids with neuronal cell protecting activity from Streptomyces nitrosporeus
Won-Gon Kim, Jong-Pyung Kim, Hiroyuki Koshino, Kazuo Shin-Ya, Haruo Seto, Ick-Dong Yoo
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

15 .     Methyl 2-Deoxy-2-{{[(4-nitrobenzoyl)amino]thioxomethyl}amino}-β-d-glucopyranoside 3,4,6-Triacetate
C21H25N3O11S     相似度:50%
Helvetica Chimica Acta          2013          96          280-288
Synthesis and Metal Complexes of Thiourea Ligands Containing Carbohydrate-Derived Substituents
Michelle Sternberg, Jörg Rust, Christian W. Lehmann and Fabian Mohr
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


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» 本帖已获得的红花(最新10朵)

3楼2013-06-03 22:02:46
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

真夜Mayo

铜虫 (初入文坛)

引用回帖:
2楼: Originally posted by yaolan123 at 2013-06-03 22:01:21
查询结果:共查到18个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------

1 .     9-angelylplatynecine
    相似度:60%
Phytochemistry       ...

谢谢~
4楼2013-06-03 22:19:21
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

真夜Mayo

铜虫 (初入文坛)

送红花一朵
引用回帖:
3楼: Originally posted by fu_jian2008 at 2013-06-03 22:02:46
查询模式:模糊查询  
碳谱数据输入:
按从小到大顺序输入,数字间用英文半角逗号(,)分隔例如:
21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2
18.3, 21.1, 28.6, 55.2, 64.5, 67.3, 71.1, 72.4, 1 ...

谢谢~
5楼2013-06-03 22:22:48
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