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zyl812

铁杆木虫 (职业作家)

[求助] 求一化合物微谱数据

溶剂:氘带吡啶,碳谱数据:12.2,12.4,14.9,16.5,23.9,25.8,27.1,30.1,39.8,42.2,42.3,43.6,44.3,48.5,49.4,49.7,53.1,56.6,63.4,63.8,72.5,73.6,78.1,81.5,82.5,91.1,134.9,144.7,178.3,178.8
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whg0408

银虫 (初入文坛)

【答案】应助回帖

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感谢参与,应助指数 +1
zyl812: 金币+10, ★★★很有帮助 2013-06-22 08:57:15
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
12.2,12.4,14.9,16.5,23.9,25.8,27.1,30.1,39.8,42.2,42.3,43.6,44.3,48.5,49.4,49.7,53.1,56.6,63.4,63.8,72.5,73.6,78.1,81.5,82.5,91.1,134.9,144.7,178.3,178.8

查询结果:共查到477个化合物(查询结果仅供参考)  
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1 .     gnapholide
C30H40O7     相似度:86.6%
Natural Product Research          2002          16          179-186
Gnapholide: A New Guaiac-Dimer from Pulicaria Gnaphalodes (Asteraceae)
Muhammad Shaiq Ali; Muhammad Jahangir; Syed Shah Uzair; Ayman Wahba Erian; Rasool Bakhsh Tareen
Structure      13C NMR   碳谱模拟图

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

2 .     anabsinthin
C30H40O6     相似度:70%
Natural Product Research          2002          16          179-186
Gnapholide: A New Guaiac-Dimer from Pulicaria Gnaphalodes (Asteraceae)
Muhammad Shaiq Ali; Muhammad Jahangir; Syed Shah Uzair; Ayman Wahba Erian; Rasool Bakhsh Tareen
Structure      13C NMR   碳谱模拟图

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

3 .     anabsinthin
C30H40O6     相似度:66.6%
Phytochemistry          1999          51          559-562
Dimeric guaianolides from Daphne oleoides
Nisar Ullah, Saeed Ahmed, Zaheer Ahmed, Pir Mohammad, Abdul Malik
Structure      13C NMR   碳谱模拟图

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

4 .     seemarin
C30H40O7     相似度:63.3%
Phytochemistry          1999          51          559-562
Dimeric guaianolides from Daphne oleoides
Nisar Ullah, Saeed Ahmed, Zaheer Ahmed, Pir Mohammad, Abdul Malik
Structure      13C NMR   碳谱模拟图

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

5 .     caruifolin C
C30H40O7     相似度:60%
Journal of Natural Products          2000          63          1626-1629
Guaiane Dimers and Germacranolide from Artemisia caruifolia
Chao-mei Ma, Norio Nakamura, Masao Hattori, Shu Zhu, and Katsuko Komatsu
Structure      13C NMR   碳谱模拟图

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

6 .     absinthin
    相似度:60%
Phytochemistry          1999          51          559-562
Dimeric guaianolides from Daphne oleoides
Nisar Ullah, Saeed Ahmed, Zaheer Ahmed, Pir Mohammad, Abdul Malik
Structure      13C NMR   碳谱模拟图

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

7 .     3β,21β,23-trihydroxyolean-12-en-28-oic acid
    相似度:60%
Korean Journal of Pharmacognosy          1987          18(3)          151-167
13C NMR Spectroscopy of Amyrins
Kang, Sam-Sik
Structure      13C NMR   碳谱模拟图

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

8 .     absinthin
    相似度:60%
Phytochemistry          1985          24          1009-1015
Dimeric guaianolides from Artemisia sieversiana
Ferdinand Bohlmann, Widayati Ang, Carola Trinks, Jasmin Jakupovic, Siegfried Huneck
Structure      13C NMR   碳谱模拟图

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

9 .     3β,6β,19α-Trihydroxy-urs-12-en-28-oic acid-24-carboxylic acid methyl ester
C31H48O7     相似度:58.0%
Molecules          2012          17          504-510
A New Triterpene from the Plant of Uncaria Macroph
Guangli Sun, Xiaopo Zhang, Xudong Xu, Junshan Yang, Mingliang Zhong and Jingquan Yuan
Structure      13C NMR   碳谱模拟图

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

10 .     1β,3β,7β-trihydroxy-lup-20(29)-en-28-oic acid
C30H48O5     相似度:56.6%
Journal of Natural Products          2000          63          1653-1657
Microbial Transformations of the Antimelanoma Agent Betulinic Acid
Samir A. Kouzi,Parnali Chatterjee,John M. Pezzuto, and Mark T. Hamann
Structure      13C NMR   碳谱模拟图
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