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swordofsea

金虫 (初入文坛)

[求助] 求助一化合物微谱数据结构

求助一化合物微谱数据结构
求助,我的一个化合物的碳谱数据是100.57,69.7,69.23,68.33,63.88,61.38,60.92,31.44,18.89,13.28,溶剂是D2O
化合物二的碳谱数据是97.22,92.57,77.07,75.18,73.43,72.60,72.28,70.90,70.67,61.55,61.48 溶剂是DMSO
化合物3的碳谱数据是104.60,102.40,98.49,97.31,92.64,83.32,82.32,81.38,71.16,76.31,76.16,75.74,75.26,73.50,72.75,72.37,71.00,70.73,70.32,69.60,68.18,64.72,64.13,63.48,63.41,63.37,61.64,61.51.溶剂是DMSO求助一下,忙着毕业。可以把数据发到我哦邮箱来jxbzyyhp@sina.com
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swordofsea

金虫 (初入文坛)

引用回帖:
2楼: Originally posted by lifeliuyan at 2013-09-27 19:51:56
按从小到大顺序输入,数字间用英文半角逗号(,)分隔例如:
如:21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2

13.28,18.89,31.44,60.92,61.38,63.88,68.33,69.23,69.70,100.57溶剂是D2O
化合物2:61.48,61.55,70.67,70.90,72.28,72.60,73.43,75.18,77.07,92.57,97.22溶剂是DMSO
化合物3:61.51,61.64,63.37,63.41,63.48,64.13,64.72,68.18,69.60,70.32,70.73,71.00,72.37,72.75,73.50,75.26,75.74,76.16,76.31,77.16,81.38,82.32,83.32,92.64,97.31,98.49,102.40,104.60溶剂是DMSO可以发到我邮箱来jxbzyyhp@sina.com
3楼2013-09-27 20:05:04
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lifeliuyan

至尊木虫 (职业作家)

按从小到大顺序输入,数字间用英文半角逗号(,)分隔例如:
如:21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2
2楼2013-09-27 19:51:56
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swordofsea

金虫 (初入文坛)

引用回帖:
2楼: Originally posted by lifeliuyan at 2013-09-27 19:51:56
按从小到大顺序输入,数字间用英文半角逗号(,)分隔例如:
如:21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2

师姐,帮忙帮我查查这3个化合物。我输的格式应该是对的吧。谢谢了!
4楼2013-09-28 12:05:25
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lifeliuyan

至尊木虫 (职业作家)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与,应助指数 +1
swordofsea: 金币+10, ★★★★★最佳答案 2013-09-28 14:24:38
查询结果:共查到138个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------



1 .     n-butyl-β-D-fructopyranoside
C10H20O6     相似度:100%
Journal of Shenyang Pharmaceutical University          2008          25          883-885
Chemical constituents of Castanea mollissima
LIU Min, ZHANG Dong-song, HUANG Shun-wang, GAO Hui-yuan, WU Li-jun
Structure      13C NMR   碳谱模拟图

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


2 .     butyl-O-β-D-fructopyranoside
     相似度:100%
Journal of China Pharmaceutical University          2007          38          21-24
Chemical constituents from Thalictrum fortunei
ZHANG Xian-tao; WANG Hao; YIN Zhi-qi; YE Wen-cai; ZHAO Shou-xun
Structure      13C NMR   碳谱模拟图

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


3 .     n-butyl-β-D-fructopyranoside
C10H20O6     相似度:100%
Indian Journal of Chemistry          1988          27B          12-16
Chemistry of Ayurvedic Crude Drugsart VIII-Shatavari-2:Structure Elucidation of Bioacetive Shatavarin-I & other Glycosides
JAYSHREE JOSHI & SUKH DEV
Structure      13C NMR   碳谱模拟图

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


4 .     n-butyl-O-β-D-fructopyranoside
     相似度:90%
Acta Pharmaceutica Sinica          2005          Vol 40          533-535
A new flavonoid glycoside from the roots and stems of Sphaerophysa salsula
HOU Bai-ling; LI Zhan-lin; LI Xian
Structure      13C NMR   碳谱模拟图

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


5 .     n-butyl-β-D-fructopyranoside
     相似度:90%
Chinese Traditional and Herbal Drugs          2009          40          874-876
线叶蓟的化学成分研究
刘学杰;仲英;王姣
Structure      13C NMR   碳谱模拟图

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


6 .     n-butyl-β-D-fructopyranoside
C10H20O6     相似度:90%
Chinese Traditional and Herbal Drugs          2000          31          897-898
植物一内生真菌次生代谢产物的研究(Ⅰ)
于能江,郭顺星
Structure      13C NMR   碳谱模拟图

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


7 .     1-butyl-3,4,5-trihydroxy-cyclohexanol
     相似度:90%
Chinese Traditional and Herbal Drugs          1998          29          1-3
Separation and Identification of Thellungianol from Thellung Pimpinella (Pimpinella thellungiana)
Xue Kongfang; Ma Pei(Beijing Institute of Pharmaceutical Industry; Beijing )Wang Jingzun; Wang Lei(Beijing Institute of Microchemistry);
Structure      13C NMR   碳谱模拟图

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


8 .     n-butyl-β-D-fructopyranoside
     相似度:90%
Chinese Journal of Natural Medicines          2005          3          86-89
Acetylenes and Flavonoids from Artemisia scopariaⅡ
XIE Tao; LIU Jing; LIANG Jing-Yu; ZHANG Zhi-Ming; WEI Xiu-Li
Structure      13C NMR   碳谱模拟图

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


9 .     n-Butyl-β-D-fructopyranoside
     相似度:90%
Archives of Pharmacal Research          2010          33          515-521
A new phenylpropane glycoside from the rhizome of Sparganium stoloniferum
Seung Young Lee, Sang Un Choi, Jei Hyun Lee, Dong Ung Lee and Kang Ro Lee
Structure      13C NMR   碳谱模拟图

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


10 .     正丁基-β-D-吡喃果糖苷
    相似度:90%
Chinese Journal of Medicinal Chemistry          2005          15          217-220
The chemical constituents from Sa ussurea lappa C. B Clarke
YIN Hong-quan, QI Xiu-lan, HUA Hui-ming, PEI Yue-hu
Structure      13C NMR   碳谱模拟图
5楼2013-09-28 14:18:42
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