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bin85666666

新虫 (小有名气)

[求助] 微谱13C NMR数据库 查未知化合物结构

有化合物碳谱数据(CDCl3测)如下,求相似结构。谢谢!

20.7,20.9,55.5,56.2,61.5,95.8,97.5,101.6,104.3,105.8,106.2,107.7,108.1,108.7,
109.6,110.9,115.4,140.8,141.0,152.2,155.4,156.4,156.6,157.3,161.3,162.6,163.9,
166.8,168.1,183.0,184.3

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wangyanan007

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楼上的好像是个托~说白了就是做广告~
4楼2012-08-28 22:52:50
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anyluk

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【答案】应助回帖

感谢参与,应助指数 +1
你给的信息着实少了些,仅凭碳谱难以达到哈?
精益求精
2楼2012-08-28 09:53:32
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bin85666666

新虫 (小有名气)

引用回帖:
2楼: Originally posted by anyluk at 2012-08-28 09:53:32
你给的信息着实少了些,仅凭碳谱难以达到哈?

可以的,我以前这样求助过,在维普数据库里输上碳谱数据就可以查找可能的化学结构,只是我们这里没有买这个数据库
3楼2012-08-28 10:43:24
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火箭穿屁屁

木虫 (正式写手)

地球球长

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与,应助指数 +1
bin85666666: 金币+10, ★★★★★最佳答案, 3Q 2012-08-29 11:07:52
查询结果:共查到11个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------

1 .     asperpyrone D
C31H24O10     相似度:87.0%
Phytochemistry          2007          68          368-372
Asperpyrone D and other metabolites of the plant-associated fungal strain Aspergillus tubingensis
Jixun Zhan, G.M. Kamal B. Gunaherath, E.M. Kithsiri Wijeratne, A.A. Leslie Gunatilaka
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

2 .     fonsecinone A
C32H26O10     相似度:84.3%
Magnetic Resonance in Chmesitry          2005          43          962-965
Complete 1H and 13C NMR assignments of aurasperone A and fonsecinone A, two bis-naphthopyrones produced by Aspergillus aculeatus
Francinete Ramos Campos, Andersson Barison, Cristina Daolio, Antonio G. Ferreira and Edson Rodrigues-Fo
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

3 .     asperpyrone C
C32H26O10     相似度:78.1%
Journal of Natural Products          2003          66          136-139
New Dimeric Naphthopyrones from Aspergillus niger
Kohki Akiyama, Seigo Teraguchi, Yukiko Hamasaki, Mika Mori, Kunihiko Tatsumi, Kenji Ohnishi, and Hideo Hayashi
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

4 .     8'-O-demethylisonigerone
C31H24O10     相似度:77.4%
Chemistry & Biodiversity          2008          Vol. 5          93-100
Isolation, Structure Elucidation, and Antimycobacterial Properties of Dimeric Naphtho-g-pyrones from the Marine-Derived Fungus Aspergillus carbonarius
YapengZhang, Sun Ling, YuchunFang, Tianjiao Zhu, Qianqun Gu and Wei-Ming Zhu
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

5 .     isonigerone
    相似度:77.4%
Chemistry & Biodiversity          2008          Vol. 5          93-100
Isolation, Structure Elucidation, and Antimycobacterial Properties of Dimeric Naphtho-g-pyrones from the Marine-Derived Fungus Aspergillus carbonarius
YapengZhang, Sun Ling, YuchunFang, Tianjiao Zhu, Qianqun Gu and Wei-Ming Zhu
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

6 .     asperpyrone B
C32H26O10     相似度:75%
Journal of Natural Products          2003          66          136-139
New Dimeric Naphthopyrones from Aspergillus niger
Kohki Akiyama, Seigo Teraguchi, Yukiko Hamasaki, Mika Mori, Kunihiko Tatsumi, Kenji Ohnishi, and Hideo Hayashi
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

7 .     aurasperone A
C32H26O10     相似度:68.7%
Acta Scientiarum Naturalium Universitatis Sunyatseni          2007          46(4)          113-115
Pyrones in Metabolites of Marine Mangrove Endophytic Fungus(No.ZZF79) from the South China Sea
HUANG Zhong-jing, SHAO Chang-lun, CHEN Yi-guang, LIN Yong-cheng
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

8 .     8'-O-demethylnigerone
C31H24O11     相似度:67.7%
Chemistry & Biodiversity          2008          Vol. 5          93-100
Isolation, Structure Elucidation, and Antimycobacterial Properties of Dimeric Naphtho-g-pyrones from the Marine-Derived Fungus Aspergillus carbonarius
YapengZhang, Sun Ling, YuchunFang, Tianjiao Zhu, Qianqun Gu and Wei-Ming Zhu
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

9 .     aurasperone A
C32H26O10     相似度:65.6%
Magnetic Resonance in Chmesitry          2005          43          962-965
Complete 1H and 13C NMR assignments of aurasperone A and fonsecinone A, two bis-naphthopyrones produced by Aspergillus aculeatus
Francinete Ramos Campos, Andersson Barison, Cristina Daolio, Antonio G. Ferreira and Edson Rodrigues-Fo
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

10 .     xanthoviridicatin F
C27H20O9     相似度:61.2%
Helvetica Chimica Acta          2003          Vol. 86          3380
Isolation, Structure, and HIV-1 Integrase Inhibitory Activity of Xanthoviridicatin E and F, Two Novel Fungal Metabolites Produced by Penicillium chrysogenum
Sheo B. Singh, Deborah L. Zink, Ziqiang Guan, Javier Collado, Fernando Pelaez,Peter J. Felock, and Daria J. Hazuda
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

11 .     planifolin
C31H26O10     相似度:51.6%
Journal of Natural Products          2001          64          122-124
Planifolin, a New Naphthopyranone Dimer and Flavonoids from Paepalanthus planifolius
Lourdes C. Santos,Sonia Piacente, Cosimo Pizza, Klaus Albert, Markus Dachtler, and Wagner Vilegas
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------
绳命是入次的井猜
5楼2012-08-29 09:04:49
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