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小木虫论坛-学术科研互动平台 » 生物医药区 » 药学 » 天然药物化学 » 微谱求助。
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柳林一路行

木虫 (小有名气)

[求助] 微谱求助。

13C NMR (100 MHz, CDCl3) δ 168.91, 168.21, 167.51, 166.94, 145.82, 134.96, 134.90, 134.47, 131.88, 129.70, 129.23, 128.97, 128.94, 128.06, 127.74, 127.56, 124.90, 124.24, 124.13, 120.76, 119.78, 118.98, 118.63, 110.26, 109.27, 83.18, 63.71, 59.06, 57.36, 56.23, 56.17, 54.15, 40.13, 39.96, 38.91, 29.67, 29.45.

另外，63.71可能是杂质峰。
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1楼 2013-09-02 17:24:37
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wangkaibo123

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kerry

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【答案】应助回帖

感谢参与，应助指数 +1
格式不对


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
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Domyallbesttohaveahappylife.
2楼2013-09-02 17:55:45
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柳林一路行

木虫 (小有名气)
13C NMR (100 MHz, CDCl3) δ 29.45,29.67,38.91,39.96,40.13,54.15,56.17,56.23,57.36,59.06,63.71,83.18,109.27,110.26,118.63,118.98,119.78,120.76,124.13,124.24,124.90,127.56,127.74,128.06,128.94,129.23,128.97,129.70,131.88,134.47,134.90,134.96,145.82,166.94,167.51,168.21,168.91


另外，63.71可能是杂质峰。
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3楼2013-09-02 19:23:35
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笑多会怀孕

铁杆木虫 (著名写手)

【答案】应助回帖

感谢参与，应助指数 +1
查询结果：共查到51个化合物(查询结果仅供参考)
1 .     compound IIIa
C40H36N2O10     相似度:59.4%
Russian Journal of Organic Chemistry          2002          38          982-994
Structure and Tautomerism of Cyclopentadiene Derivatives: IX. Synthesis and Structure of Substituted N-Cyclopentadienyl Amidinium Ylides
G. A. Dushenko, I. E. Mikhailov, G. Reck, B. Schulz and A. Zschunke, et al.
Structure      13C NMR   碳谱模拟图
2 .     pestalazine A
C37H38N6O4     相似度:56.7%
Journal of Natural Products          2008          71(11)          1861-1865
Pestalazines and Pestalamides, Bioactive Metabolites from the Plant Pathogenic Fungus Pestalotiopsis theae
Gang Ding, Lihua Jiang, Liangdong Guo, Xulin Chen, Hua Zhang, and Yongsheng Che
Structure      13C NMR   碳谱模拟图
3 .     cis-N-[2-(3'',4''-dimethoxyphenyl)-9,10-dimethoxy-4-oxo-1-phenyl-3,4,6,7-tetrahydro-2H-pyrido[2,1-a]isoquinolin-3-yl]benzamide
C36H34N2O6     相似度:56.7%
Tetrahedron          2012          68          2864-2875
Synthesis of benzoindoloquinolizines via a Cu(I)-mediated C–N bond formation
Rattana Worayuthakarn, Prattya Nealmongkol, Somsak Ruchirawat, Nopporn Thasana
Structure      13C NMR   碳谱模拟图
4 .     1-benzyl 3-methyl 2-(isochroman-1-yl)malonate
C20H20O5     相似度:56.7%
European Journal of Organic Chemistry          2010                   4460-4467
Dehydrogenative Functionalization of C(sp3)–H Bonds Adjacent to a Heteroatom Mediated by Oxoammonium Salts
Heinrich Richter and Olga García Mancheño
Structure      13C NMR   碳谱模拟图
5 .     1-hex-5-ynyl-5-methoxy-3-phenylsulfanyl-1,3-dihydro-naphtho[2,3-c]thiophene 2,2-dioxide
C25H27NO3S2     相似度:55.2%
Heterocycles          2010          81          117-143
Exploration of Braverman Reaction Chemistry. Synthesis of Tricyclic Dihydrothiophene Dioxide Derivatives from Bispropargyl Sulfones
Ken S. Feldman and Brandon R. Selfridge
Structure      13C NMR   碳谱模拟图
6 .     methyl 2-((1H-benzo[d][1,2,3]triazol-1-yl)(o-tolyl)-methyl)-3-oxobutanoate
C19H19N3O3     相似度:55.2%
Journal of Heterocyclic Chemistry          2011          48          434-440
Selective substitution reactions of methoxycarbonylamino-1-(1-benzotriazolyl)alkanes with active methylene compounds
Liejin Zhou, Xin Lv, Hui Mao and Xiaoxia Wang
Structure      13C NMR   碳谱模拟图
7 .     asperazine
C40H36N6O4     相似度:55%
The Journal of Organic Chemistry          1997          62          7078-7079
Asperazine, a Selective Cytotoxic Alkaloid from a Sponge-Derived Culture of Aspergillus niger
Mustafa Varoglu, Thomas H. Corbett, Frederick A. Valeriote, and Phillip Crews,
Structure      13C NMR   碳谱模拟图
8 .     (-)-antioquine
C37H40N2O6     相似度:54.0%
Phytochemistry          2000          54          709-716
Bisbenzylisoquinoline alkaloids from Guatteria boliviana (Annonaceae)
Valérie Mahiou, François Roblot, Alain Fournet, Reynald Hocquemiller
Structure      13C NMR   碳谱模拟图
9 .     compound 12
    相似度:54.0%
Journal of Natural Products          1995          Vol 58          1570-1574
Triterpenoids from the Aerial Parts of Lantana camara
Sabira Begum, Syed Mohammad Raza, Bina Shaheen Siddiqui, Salimuzzaman Siddiqui
Structure      13C NMR   碳谱模拟图
10 .     N-(4-Aminophthalimidohexyl)-25,27-(diamidomonoazacrown-5)-calix[4]arene
C54H55N5O8     相似度:54.0%
Chinese Chemical Letters          2010          21          807-809
Novel synthesis of N-substituted-calix[4]azacrown derivatives
Zhi Qiang Shi; Ya Qing Feng; Shu Xian Meng
Structure      13C NMR   碳谱模拟图
11 .     (3S,6S)-1-(o-azidobenzoyl)-4-(2'',4''-dimethoxybenzyl)-3-[1'(o-azidobenzoyl)-3'-indolylmethyl]-6-methyl-2,5-piperazinedione
C37H31N9O6     相似度:54.0%
Heterocycles          2000          53          1765-1782
Synthesis of a Seco Analogue of Ardeemin
Esmeralda Caballero, Carmen Avendaño,* and J. Carlos Menéndez*
Structure      13C NMR   碳谱模拟图
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4楼2013-09-02 20:16:48
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wangkaibo123

荣誉版主 (职业作家)

kerry

优秀版主

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
柳林一路行: 金币+30, ★★★★★最佳答案, xx 2013-09-02 20:24:11
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

溶剂选项：
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51个化合物(查询结果仅供参考)
1 .     compound IIIa
C40H36N2O10     相似度:59.4%
Russian Journal of Organic Chemistry          2002          38          982-994
Structure and Tautomerism of Cyclopentadiene Derivatives: IX. Synthesis and Structure of Substituted N-Cyclopentadienyl Amidinium Ylides
G. A. Dushenko, I. E. Mikhailov, G. Reck, B. Schulz and A. Zschunke, et al.
Structure      13C NMR   碳谱模拟图
2 .     pestalazine A
C37H38N6O4     相似度:56.7%
Journal of Natural Products          2008          71(11)          1861-1865
Pestalazines and Pestalamides, Bioactive Metabolites from the Plant Pathogenic Fungus Pestalotiopsis theae
Gang Ding, Lihua Jiang, Liangdong Guo, Xulin Chen, Hua Zhang, and Yongsheng Che
Structure      13C NMR   碳谱模拟图
3 .     cis-N-[2-(3'',4''-dimethoxyphenyl)-9,10-dimethoxy-4-oxo-1-phenyl-3,4,6,7-tetrahydro-2H-pyrido[2,1-a]isoquinolin-3-yl]benzamide
C36H34N2O6     相似度:56.7%
Tetrahedron          2012          68          2864-2875
Synthesis of benzoindoloquinolizines via a Cu(I)-mediated C–N bond formation
Rattana Worayuthakarn, Prattya Nealmongkol, Somsak Ruchirawat, Nopporn Thasana
Structure      13C NMR   碳谱模拟图
4 .     1-benzyl 3-methyl 2-(isochroman-1-yl)malonate
C20H20O5     相似度:56.7%
European Journal of Organic Chemistry          2010                   4460-4467
Dehydrogenative Functionalization of C(sp3)–H Bonds Adjacent to a Heteroatom Mediated by Oxoammonium Salts
Heinrich Richter and Olga García Mancheño
Structure      13C NMR   碳谱模拟图
5 .     1-hex-5-ynyl-5-methoxy-3-phenylsulfanyl-1,3-dihydro-naphtho[2,3-c]thiophene 2,2-dioxide
C25H27NO3S2     相似度:55.2%
Heterocycles          2010          81          117-143
Exploration of Braverman Reaction Chemistry. Synthesis of Tricyclic Dihydrothiophene Dioxide Derivatives from Bispropargyl Sulfones
Ken S. Feldman and Brandon R. Selfridge
Structure      13C NMR   碳谱模拟图
6 .     methyl 2-((1H-benzo[d][1,2,3]triazol-1-yl)(o-tolyl)-methyl)-3-oxobutanoate
C19H19N3O3     相似度:55.2%
Journal of Heterocyclic Chemistry          2011          48          434-440
Selective substitution reactions of methoxycarbonylamino-1-(1-benzotriazolyl)alkanes with active methylene compounds
Liejin Zhou, Xin Lv, Hui Mao and Xiaoxia Wang
Structure      13C NMR   碳谱模拟图
7 .     asperazine
C40H36N6O4     相似度:55%
The Journal of Organic Chemistry          1997          62          7078-7079
Asperazine, a Selective Cytotoxic Alkaloid from a Sponge-Derived Culture of Aspergillus niger
Mustafa Varoglu, Thomas H. Corbett, Frederick A. Valeriote, and Phillip Crews,
Structure      13C NMR   碳谱模拟图
8 .     (-)-antioquine
C37H40N2O6     相似度:54.0%
Phytochemistry          2000          54          709-716
Bisbenzylisoquinoline alkaloids from Guatteria boliviana (Annonaceae)
Valérie Mahiou, François Roblot, Alain Fournet, Reynald Hocquemiller
Structure      13C NMR   碳谱模拟图
9 .     compound 12
    相似度:54.0%
Journal of Natural Products          1995          Vol 58          1570-1574
Triterpenoids from the Aerial Parts of Lantana camara
Sabira Begum, Syed Mohammad Raza, Bina Shaheen Siddiqui, Salimuzzaman Siddiqui
Structure      13C NMR   碳谱模拟图
10 .     N-(4-Aminophthalimidohexyl)-25,27-(diamidomonoazacrown-5)-calix[4]arene
C54H55N5O8     相似度:54.0%
Chinese Chemical Letters          2010          21          807-809
Novel synthesis of N-substituted-calix[4]azacrown derivatives
Zhi Qiang Shi; Ya Qing Feng; Shu Xian Meng
Structure      13C NMR   碳谱模拟图
11 .     (3S,6S)-1-(o-azidobenzoyl)-4-(2'',4''-dimethoxybenzyl)-3-[1'(o-azidobenzoyl)-3'-indolylmethyl]-6-methyl-2,5-piperazinedione
C37H31N9O6     相似度:54.0%
Heterocycles          2000          53          1765-1782
Synthesis of a Seco Analogue of Ardeemin
Esmeralda Caballero, Carmen Avendaño,* and J. Carlos Menéndez*
Structure      13C NMR   碳谱模拟图
12 .     N-(4'-amino-3,3'-dimethoxybiphenyl-4-yl)-2-(1,3-dioxo-6-(2-(phenylthio)ethylamino)-1H-benzo[de]isoquinolin-2(3H)-yl)-4-methylpentanamide
C40H40N4O5S     相似度:54.0%
Bioorganic & Medicinal Chemistry          2009          17          592-599
Novel naphthalimide–amino acid conjugates with flexible leucine moiety as side chain: Design, synthesis and potential antitumor activity
Aibin Wu, Yufang Xu, Xuhong Qian
Structure      13C NMR   碳谱模拟图
13 .     methyl 2-((1H-benzo[d][1,2,3]triazol-1-yl)(m-tolyl)-methyl)-3-oxobutanoate
C19H19N3O3     相似度:54.0%
Journal of Heterocyclic Chemistry          2011          48          434-440
Selective substitution reactions of methoxycarbonylamino-1-(1-benzotriazolyl)alkanes with active methylene compounds
Liejin Zhou, Xin Lv, Hui Mao and Xiaoxia Wang
Structure      13C NMR   碳谱模拟图
14 .     17-(Indol-3-yl)-19-phenyl-10,16,17,17a-tetrahydro[1,5]benzodiazepino[2',3':2,3] [1,4] benzodiazepino[5,4-b][1,3,5]benzotriazepine
C37H26N7     相似度:54.0%
Journal of Heterocyclic Chemistry          2012          49          173-182
A facile synthesis of 2-alkyl-3-α-carboxy-α-styryl/heterylvinyl quinazolin-4(3H)-ones and 3-arylidene/heterylmethylidene-4-aroyl-1H-[1,4]benzodiazepine-2,5(3H,4H)-diones and their transformation into novel heterocyclyl and heterocyclo analogues
Poonam Gupta, Archana Sharma and R. L. Sharma
Structure      13C NMR   碳谱模拟图
15 .     (2S,10S,10aS)-9-allyloxy-10-benzoyloxy-1,2,3,5,10,10a-hexahydropyrrolo[1,2-b]isoquinolin-2-yl (2'S,3'R)-3'-benzoylamino-2'-hydroxy-3'-(2-(but-3-enyloxy)phenyl)-propanoate
C42H42N2O8     相似度:53.8%
Bioorganic & Medicinal Chemistry          2011          19          7664-7678
Design and synthesis of simplified taxol analogs based on the T-Taxol bioactive conformation
Jielu Zhao, Susan Bane, James P. Snyder, Haipeng Hu, Kamalika Mukherjee, Carla Slebodnick, David G.I. Kingston
Structure      13C NMR   碳谱模拟图
16 .     4-tert-butyl 1-methyl (2R*,3S*)-2-hydroxy-3-(naphthalen-1-yl-amino)-2-[(E)-2-phenylethenyl]butanedioate and 4-tert-butyl 1-methyl (2R*,3R*)-2-hydroxy-3-(naphthalen-1-ylamino)-2-[(E)-2-phenylethenyl]butanedioate
C27H29NO5     相似度:52.3%
European Journal of Organic Chemistry          2011                   1113-1124
Highly Regioselective, Three-Component Reactions of Diazoacetates with Anilines and β,-Unsaturated -Keto Esters: 1,2-Addition versus 1,4-Addition
Yingguang Zhu, Changwei Zhai, Liping Yang and Wenhao Hu
Structure      13C NMR   碳谱模拟图
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5楼2013-09-02 20:17:59
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