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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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lifeliuyan

至尊木虫 (职业作家)

引用回帖:
10楼: Originally posted by swordofsea at 2013-10-02 18:30:47
师姐在帮我查一个化合物的维普
15.19,16.40,16.88,16.98,17.96,21.04,22.81,23.23,23.77,26.96,
27.50,28.22,30.15,32.67,36.28,36.49,38.19,38.34,38.40,38.47,41.61,46.79,46.98,52.34,54.74,76.79,124.54,138 ...

查询结果:共查到8882个化合物(查询结果仅供参考)  
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1 .     ursolic acid
     相似度:100%
China Journal of Chinese Materia Medica          2010          35          315-322
Terpenoids of Heteroplexis micocephala and their bioactivities
FAN Xiaona; LIN Sheng; ZHU Chenggen; HU Jinfeng; LIU Yang; CHEN Xiaoguang; CHEN Naihong; WANG Wenjie; SHI Jiangong
Structure      13C NMR   碳谱模拟图

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2 .     Ursolic acid
     相似度:100%
Archives of Pharmacal Research          2005          28          1135-1141
Inhibitory effect on TNF-α-induced IL-8 production in the HT29 cell of constituents from the leaf and stem ofWeigela subsessilis
Phuong Thien Thuong, WenYi Jin, JongPill Lee, RackSeon Seong and Young-Mi Lee, et al.
Structure      13C NMR   碳谱模拟图

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3 .     Ursolic acid (3β-hydroxy-urs-12-en-28-oic acid)
     相似度:96.6%
Molecules          2008          13          2482-2487
Variation of Ursolic Acid Content in Eight Ocimum Species from Northeastern Brazil
M. Goretti V. Silva, Icaro G. Vieira, Francisca N. Mendes, Irineu L. Albuquerque, Rogério N. dos Santos, Fábio O. Silva and Selene M. Morais
Structure      13C NMR   碳谱模拟图

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4 .     ursolic acid
     相似度:96.6%
China Journal of Chinese Materia Medica          2005          30          1086-1088
Studies on the chemical constituents in herb of Mentha haplocalyx
LIU Ying, ZHANG Yuanhu, SHI Renbing
Structure      13C NMR   碳谱模拟图

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5 .     ursolic acid
C30H48O3     相似度:96.6%
China Journal of Chinese Materia Medica          2005          30          1926-1932
Studies on triterpenoid constituents from Rabdosia japonica var. galaucocalyx
Wang Fudong, DING Lan, WANG Hanqing
Structure      13C NMR   碳谱模拟图

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6 .     ursolic acid
C30H48O3     相似度:96.6%
China Journal of Chinese Materia Medica          2000          25          484-485
Studies on Constututents in Uncaria macrophylla Wall
YANG Jun, SONG Chunqing, HU Zhibi
Structure      13C NMR   碳谱模拟图

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7 .     ursolic acid
     相似度:96.6%
Natural Product Sciences          2002          8          62-65
Chemical Constituents from Sorbus commixta
Na, Min-Kyun; An, Ren-Bo; Min, Byung-Sun; Lee, Sang-Myung; Kim, Young-Ho; Bae, Ki-Hwan
Structure      13C NMR   碳谱模拟图

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8 .     熊果酸(ursolic acid)
     相似度:96.6%
Chinese Traditional and Herbal Drugs          2011          42(5)          841-843
Chemical constituents in root of Actinidia chinensis
CHEN Xiao-xiao, YANG Shang-jun, BAI Shao-yan
Structure      13C NMR   碳谱模拟图

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9 .     ursolic acid
     相似度:96.6%
Chinese Traditional and Herbal Drugs          2009          40          1704-1707
Chemical constituents of mangrove plant Excoecaria agallocha in Hainan Province
XU Jie; DENG Zhi-wei; LIN Wen-han; LI Qing-shan
Structure      13C NMR   碳谱模拟图

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10 .     ursolic acid
     相似度:96.6%
Chinese Journal of Natural Medicines          2009          7          425-427
Chemical Constituents from Houttuynia cordata
QU Wei; LIANG Jing-Yu; LI Meng-Ran
Structure      13C NMR   碳谱模拟图

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11 .     ursolic acid
     相似度:96.6%
Chinese Journal of Natural Medicines          2010          8          425-428
Chemical Constituents of Gentianella azurea
SHI Ke-Li; WANG Ye-Qing; JIANG Qian; LIAO Zhi-Xin
Structure      13C NMR   碳谱模拟图

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12 .     ursolic acid
     相似度:96.6%
Archives of Pharmacal Research          2000          23          155-158
Cytotoxic triterpenes from Crataegus pinnatifida
Byung Sun Min, Young Ho Kim, Sang Myung Lee, Hyun Ju Jung and Jun Sung Lee, et al.
Structure      13C NMR   碳谱模拟图

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13 .     ursolic acid
     相似度:96.6%
Chinese Pharmaceutical Journal          2008          43          255-257
Study on the Antiphlogistic Constituents in Seed of Schisandra propinqua(Wall)Hook.f.et Thoms
LI Jun, LI Fu, LU Yuan-yuan, WEN Gui-qing, SU Xiao-jian
Structure      13C NMR   碳谱模拟图

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14 .     ursolic acid
     相似度:96.6%
Chinese Pharmaceutical Journal          2011          46          504-506
Study on Triterpenoid Constituents in the Leaves of Paulownia fortunei
ZHANG De-li, LI Xiao-qiang, LI Chong
Structure      13C NMR   碳谱模拟图

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15 .     ursolic acid
C30H48O3     相似度:96.6%
Journal of Shenyang Pharmaceutical University          2011          28          425-428
Isolation and identification of quinones constituents from root cortex of Morinda officinalis How.
LI Chen-yang, GAO Hao, JIAO Wei-hua, DING Bo, LI Xiao-bin, YAO Xin-sheng
Structure      13C NMR   碳谱模拟图

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16 .     熊果酸
    相似度:96.6%
Journal of Shenyang Pharmaceutical University          2008          25          35-38
Chemical constitunts from Sonneratia ovata
ZHENG Zhe, PEI Yue-hu
Structure      13C NMR   碳谱模拟图

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17 .     ursolic acid
     相似度:96.6%
Natural Product Research and Development          2006          18          772-774
Studies on Chemical Constituents of Periploca omeiensis
ZHANG Yuan-hu; CHEN Dong-lin; WANG Feng-peng
Structure      13C NMR   碳谱模拟图

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18 .     ursolic acid
C30H48O3     相似度:96.6%
Chemistry of Natural Compounds          2012          48          706-707
Triterpenes and flavonoids from Mosla chinensis
Ren-Geng Shu, Hao-Wu Hu, Pu-Zhao Zhang and Fei Ge
Structure      13C NMR   碳谱模拟图

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19 .     ursolic acid
     相似度:96.6%
Medicinal Chemistry Research          2012          21          4324-4329
Antioxidant and a-glucosidase inhibitory compounds from Pimpinella candolleana Wight et Arn.
Xing Chang • Wenyi Kang
Structure      13C NMR   碳谱模拟图
11楼2013-10-03 19:09:23
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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

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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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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