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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)

【答案】应助回帖

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swordofsea: 金币+10, ★★★★★最佳答案 2013-09-28 14:24:20
化合物2

查询结果:共查到387个化合物(查询结果仅供参考)  
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1 .     glucose
C6H12O6     相似度:91.6%
Chinese Journal of Medicinal Chemistry          2011          21          220-225
Chemical constituents from dried fruits of Rubus chingii
XIAO Hong-ming, ZU Ling-bo, LI Shi-ping, WANG Kai-jin, LI Ning*
Structure      13C NMR   碳谱模拟图

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2 .     3-azido-3-deoxy-α-D-glucopyranosyl-(1→1')-β-D-glucopyranoside
C12H21N3O10     相似度:91.6%
Tetrahedron          2013          69          816-825
Synthesis of 3,3′-neotrehalosadiamine and related 1,1′-aminodisaccharides using disarmed, armed, and superarmed building blocks
Shazia Anjum, Natasha D. Vetter, Joseph E. Rubin, David R.J. Palmer
Structure      13C NMR   碳谱模拟图

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3 .     inotodisaccharide
     相似度:91.6%
Mycosystema          2010          29          897-910
Metabonomic analysis on production of antioxidant secondary metabolites by two geographically isolated strains of Inonotus obliquus in submerged cultures
ZHENG Wei-Fa DAI Yu-Cheng SUN Jing ZHAO Yan-Xia MIAO Kang-Jie PAN Shen-Yuan ZHANG Mei-Mei WEI Jiang-Chun
Structure      13C NMR   碳谱模拟图

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4 .     compound 11
     相似度:83.3%
Chinese Traditional and Herbal Drugs          2010          41          689-692
Chemical constituents from roots of Tinospora sagittata var. yunnanensis
CHENG Chun-mei; DAI Yun; HUANG Xiang-zhong; ZHU Yun; DAI Jian-hui; LIU Xiao-fang; WANG Jiong
Structure      13C NMR   碳谱模拟图

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5 .     Mixture of α- and β-D-Galactose
     相似度:81.8%
Phytochemistry          1998          49          1791-1795
Seven imidazole alkaloids from Lepidium sativum
Ulrich H. Maier, Heidrun Gundlach, Meinhart H. Zenk
Structure      13C NMR   碳谱模拟图

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6 .     α-D-Glucopyranosido-β-D-fructofuranoside
C12H22O11     相似度:75%
Chemistry of Natural Compounds          2007          43          214-215
CHEMICAL RESEARCH OF Caragana microphylla Seeds
Yan Huo, Cheng Guo, Shan Lu,Qiao-Yan Zhang, and Lu-Ping Qin
Structure      13C NMR   碳谱模拟图

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7 .     6-O-Monoester of Karatavikic acid and Sucrose
     相似度:75%
Chemistry of Natural Compounds          1996          32          532-534
MODIFICATIONS BASED ON COUMARINS.I. SYNTHESIS OF MONOESTERS OF KARATAVIKIC AND GALBANIC ACIDS WITH SUCROSE
A. F. Artamonova, K. A. Nusipbekova, F. S. Nigmat-llina,G. K. Nikonov, and B. Zh. Dzhienbaev
Structure      13C NMR   碳谱模拟图

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8 .     6-O-Mouomethyl Ester of Galvanic acid and Sucrose
     相似度:75%
Chemistry of Natural Compounds          1996          32          532-534
MODIFICATIONS BASED ON COUMARINS.I. SYNTHESIS OF MONOESTERS OF KARATAVIKIC AND GALBANIC ACIDS WITH SUCROSE
A. F. Artamonova, K. A. Nusipbekova, F. S. Nigmat-llina,G. K. Nikonov, and B. Zh. Dzhienbaev
Structure      13C NMR   碳谱模拟图

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9 .     trans-O-Methylmarmesinic acid
C27H38O15     相似度:75%
Chemistry of Natural Compounds          1993          29          84-86
SYNTHESIS OF A MONOESTER OF SUCROSE WITH trans-O-METHYLMARMESINIC ACID
A. F. Artamonov, F. S. Nigmatullina,and G. K. Nikonov
Structure      13C NMR   碳谱模拟图

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10 .     Sucrose
     相似度:75%
Chemistry of Natural Compounds          1993          29          84-86
SYNTHESIS OF A MONOESTER OF SUCROSE WITH trans-O-METHYLMARMESINIC ACID
A. F. Artamonov, F. S. Nigmatullina,and G. K. Nikonov
Structure      13C NMR   碳谱模拟图

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11 .     compound IV
     相似度:75%
Chemistry of Natural Compounds          1988          24          421-424
SYNTHESIS AND ISOLATION OF MONOESTERS OF SUCROSE AND ARACHIDONIC ACID
G. A. Frangulyan, A. V. Komkov, and E. P. Prokof'ev
Structure      13C NMR   碳谱模拟图

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12 .     sucrose
     相似度:75%
China Journal of Chinese Materia Medica          2002          27          361-362
Studies on the Chemical Constituents in Root of Rheum rhizastachyum
ZHAO Jun, CHANG Junmin, DU Niansheng
Structure      13C NMR   碳谱模拟图

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13 .     sucrose
     相似度:75%
Acta Pharmaceutica Sinica          2005          Vol 40          994-996
Isolation and structure identification of the chemical constituents from Gypsophila oldhamiana
SUN Jing-yong ZHONG Ying ZUO Chun-xu YIN Jun-ting WANG Bin
Structure      13C NMR   碳谱模拟图

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14 .     Sucrose
     相似度:75%
Phytochemistry          1993          32          741-745
Sinapic acid esters from Polygala virgata
Ahmad Bashir, Matthias Hamburger, Jerome D. Msonthi, Kurt Hostettmann
Structure      13C NMR   碳谱模拟图

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15 .     蔗糖(sucrose)
     相似度:75%
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
6楼2013-09-28 14:19:53
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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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