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ahawyh

金虫 (初入文坛)

[求助] 帮忙查个微谱数据,在线等~

溶剂:甲醇
碳谱:55.8,56.5,56.8,61.8,64.6,73.2,74.0,74.2,87.4,104.4,111.5,115.8,120.9,133.9,136.3,139.0,147.0,148.8,154.7
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wangkaibo123

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kerry

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【答案】应助回帖

感谢参与,应助指数 +1
这么着急 才给5个金币  格式还不对?


查询模式:模糊查询
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
Domyallbesttohaveahappylife.
2楼2013-11-27 15:56:13
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ahawyh

金虫 (初入文坛)

引用回帖:
2楼: Originally posted by wangkaibo123 at 2013-11-27 15:56:13
这么着急 才给5个金币  格式还不对?


查询模式:模糊查询
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

55.8,56.5,56.8,61.8,64.6,73.2,74.0,74.2,87.4,104.4,111.5,115.8,120.9,133.9,136.3,139.0,147.0,148.8,154.7
那就再给你加5个。。。不是很富有的说
3楼2013-11-27 16:03:00
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wangkaibo123

荣誉版主 (职业作家)

kerry

优秀版主

【答案】应助回帖

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ahawyh: 金币+15, 有帮助 2013-11-27 16:36:31
查询模式:模糊查询
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

溶剂选项:
匹配容差: (数字格式,可自行设定)
相似度:   %(相似度>=50%)



查询结果:共查到401个化合物(查询结果仅供参考)
1 .     (+)-(7R,7'R,7''S,7'''S,8S,8'S,8''S,8'''S)-4'',4'''-dihydroxy-3,3',3'',3''',5,5'-hexamethoxy-7,9';7',9-diepoxy-4,8'';4',8'''-bisoxy-8,8'-dineolignan-7'',7''',9'',9'''-tetraol
C42H50O16     相似度:89.4%
Archives of Pharmacal Research          2012          35          1739-1747
Phenylpropanoids and Lignanoids from Euonymus acanthocarpus
Jia Xian Zhu, Jie Ren, Jiang Jiang Qin, Xiang Rong Cheng, Qi Zeng, Fei Zhang, Shi Kai Yan, Hui Zi Jin,and Wei Dong Zhang,
Structure      13C NMR   碳谱模拟图
2 .     (threo,threo)-1-[4-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy]-3,5-dimethoxyphenyl]-1,2,3-propanetriol
C21H28O10     相似度:89.4%
Chemistry of Natural Compounds          2013          49          486-492
Chemical Constituents from Aphanamixis grandifolia
Qi Zeng, Ji Ye, Jie Ren, Xiang-rong Cheng, Jiang-jiang Qin, Hui-Zi Jin, Wei-Dong Zhang
Structure      13C NMR   碳谱模拟图
3 .     wilfordiol B
C19H24O8     相似度:89.4%
Fitoterapia          2012          83          343-347
Four new neolignans from the leaves of Tripterygium wilfordii
Xu Cao, Chuang-Jun Li, Jing-Zhi Yang, Bai-Xing Wei, Shao-Peng Yuan, Yong-Ming Luo, Qi Hou, Dong-Ming Zhang
Structure      13C NMR   碳谱模拟图
4 .     (erythro,threo)-1-[4-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy]-3,5-dimethoxyphenyl]-1,2,3-propanetriol
C21H28O10     相似度:84.2%
Chemistry of Natural Compounds          2013          49          486-492
Chemical Constituents from Aphanamixis grandifolia
Qi Zeng, Ji Ye, Jie Ren, Xiang-rong Cheng, Jiang-jiang Qin, Hui-Zi Jin, Wei-Dong Zhang
Structure      13C NMR   碳谱模拟图
5 .     wilfordiol A
C19H24O8     相似度:84.2%
Fitoterapia          2012          83          343-347
Four new neolignans from the leaves of Tripterygium wilfordii
Xu Cao, Chuang-Jun Li, Jing-Zhi Yang, Bai-Xing Wei, Shao-Peng Yuan, Yong-Ming Luo, Qi Hou, Dong-Ming Zhang
Structure      13C NMR   碳谱模拟图
6 .     threo-Guaiacylglycerol-β-O-4'-sinapyl ether
    相似度:78.9%
Journal of Agricultural and Food Chemistry          2003          51          6165-6172
Lignans and Neolignans from Brassica fruticulosa:  Effects on Seed Germination and Plant Growth
Francesca Cutillo, Brigida D'Abrosca, Marina DellaGreca, Antonio Fiorentino, and Armando Zarrelli
Structure      13C NMR   碳谱模拟图
7 .     threo-guaiacylglycerol-β-O-4'-sinapyl ether
    相似度:78.9%
Chinese Traditional and Herbal Drugs          2012          43          649-652
Chemical constituents from barks of Ailanthus altissima
WANG Yan; ZHANG Hai-ning; WANG Wen-jing; ZHANG Sheng-yuan; ZHANG Xiao-qi; YE Wen-cai
Structure      13C NMR   碳谱模拟图
8 .     erythro-guaiacylglycerol-β-O-4'-sinapyl ether
    相似度:76.1%
Helvetica Chimica Acta          2006          Vol. 89          73
Lignans from Wikstroemia hainanensis
Shang-Gao Liao, Yan Wu, and Jian-Min Yue
Structure      13C NMR   碳谱模拟图
9 .     erythro-guaiacylglycerol-β-O-4'-sinapyl ether
    相似度:76.1%
China Journal of Chinese Materia Medica          2009          34          1225-1227
Lignans from stems of Sambucus williamsii
OUY ANG Fu, LIU Yuan, XI AO Huihui, YU Haiyang, WANG Naili, YAO Xinsheng
Structure      13C NMR   碳谱模拟图
10 .     Pinnatifidanin B II
C23H32O9     相似度:72.7%
Bioorganic & Medicinal Chemistry Letters          2013          23          5599-5604
The cytotoxicity of 8-O-4′ neolignans from the seeds of Crataegus pinnatifida
Xiao-Xiao Huang, Chen-Chen Zhou, Ling-Zhi Li, Fei-Fei Li, Li-Li Lou, Dian-Ming Li, Takshi Ikejima, Ying Peng, Shao-Jiang Song
Structure      13C NMR   碳谱模拟图
11 .     wikstroemol
C21H24O8     相似度:71.4%
Helvetica Chimica Acta          2006          Vol. 89          73
Lignans from Wikstroemia hainanensis
Shang-Gao Liao, Yan Wu, and Jian-Min Yue
Structure      13C NMR   碳谱模拟图
12 .     L-threo-guaiacylglycerol 8-O-β-D-(6'-O-galloyl)glucopyranoside
C23O14H28     相似度:71.4%
Phytochemistry          1987          26          1147-1152
Phenolic glucoside gallates from quercus mongolica and q. acutissima
Kanji Ishimaru,Gen-Ichiro Nonaka,Itsuo Nishioka
Structure      13C NMR   碳谱模拟图
13 .     (erythro,threo)-1-[4-[2-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy]-3,5-dimethoxyphenyl]-1,2,3-propanetriol
C21H28O10     相似度:71.4%
Journal of Agricultural and Food Chemistry          2011          59          7708-7716
Further Investigation into Maple Syrup Yields 3 New Lignans, a New Phenylpropanoid, and 26 Other Phytochemicals
Liya Li and Navindra P. Seeram
Structure      13C NMR   碳谱模拟图
14 .     GGSE
    相似度:70%
Journal of Wood Science          2005          51          370-378
Stereochemistry and biosynthesis of 8-O-4 neolignans in Eucommia ulmoides: diastereoselective formation of guaiacylglycerol-8-O-4 -(sinapyl alcohol) ether
Nattaya Lourith, Takeshi Katayama, Toshisada Suzuki
Structure      13C NMR   碳谱模拟图
15 .     9α-hydroxymedioresinol
C21H24O8     相似度:68.4%
Phytochemistry          1988          27          575-577
9α-hydroxypinoresinol,9α-hydroxymedioresinol and related lignans from Allamanda neriifolia
Fumiko Abe,Tatsuo Yamauchi
Structure      13C NMR   碳谱模拟图
Domyallbesttohaveahappylife.
4楼2013-11-27 16:21:54
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