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xzhfood

荣誉版主 (著名写手)

[求助] 查化合物微谱数据 50金币

化合物1
核磁仪器:400M,
溶剂:DMSO
碳谱数据:61.7,70.8,71.1,72.4,72.8,73.5,75.3,77.2,77.3,92.7,97.3


化合物2
核磁仪器:400M,
溶剂:CDCl3
碳谱数据:13.7,13.8,15.3,16.6,17.2,18.1,18.9,19.0,19.2,19.5,20.3,21.5,23.0,23.4,23.6,25.8,25.9,26.0,27.7,28.2,29.2,29.7,29.8,30.4,30.7,31.6,32.4,32.5,33.1,33.7,34.8,36.8,37.4,38.4,39.0,39.3,40.9,41.3,41.4,41.5,45.9,46.5,46.8,47.6,55.5,62.8,65.6,69.5,71.3,73.7,73.8,75.4,82.7,86.9,89.9,95.2,98.2,102.4,105.0,107.2,122.6,123.2,143.7,147.7,169.7


化合物3
核磁仪器:400M,
溶剂:CDCl3
碳谱数据:9.43,13.1,15.0,16.6,18.8,20.0,22.8,23.0,23.1,24.6,25.4,27.5,29.6,30.4,30.5,31.9,32.4,33.5,35.7,37.6,38.9,39.5,41.3,41.6,45.9,46.3,47.3,47.4,54.7,64.3,71.6,73.8,75.6,76.2,81.8,104.2,106.2,121.8,122.3,143.5,144.1,148.5,168.7,177.3,178.0,206.3

化合物4
核磁仪器:400M,
溶剂:Acetone
碳谱数据:8.47,15.0,16.6,20.3,22.8,22.9,23.2,25.3,26.2,27.5,30.4,32.0,32.4,33.5,35.7,37.9,39.6,41.3,41.7,45.8,46.9,47.4,55.2,64.0,69.8,72.6,75.7,87.4,114.6,121.9,144.0,177.9,205.9

化合物5
核磁仪器:400M,
溶剂:CDCl3
碳谱数据:14.1,22.7,24.9,27.1,27.2,29.1,29.1,29.2,29.3,29.3,29.4,29.5,29.5,29.6,29.7,31.9,34.1,65.0,68.5,71.8,129.7,130.0,173.9,173.9,174.0

[ Last edited by xzhfood on 2013-2-21 at 11:43 ]
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xzhfood

荣誉版主 (著名写手)

每个化合物要前10条记录就可以了,能查的朋友帮忙查一下,谢谢。
3楼2013-02-21 17:44:48
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xzhfood

荣誉版主 (著名写手)

哪位帮我查下数据,50金币,谢谢。
2楼2013-02-21 14:02:53
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潘宪伟

木虫 (正式写手)

【答案】应助回帖


感谢参与,应助指数 +1
karl2100: 金币+1, 谢谢! 2013-02-22 00:31:42
第一个

查询结果:共查到501个化合物(查询结果仅供参考)
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
2 .     compound 11
    相似度:75%
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
3 .     β-D-galactopyransoyl-(3→3)-O-β-D-galactopyranose
    相似度:75%
Natural Product Research and Development          2008          20          447-449
Chemical Constituents from Glochidion puberum
ZHANG Zhen;LIU Guang-ming; REN Yan-li; HE Hong-ping; HAO Xiao-jiang
Structure      13C NMR   碳谱模拟图
4 .     BMY-28251
C12H24N2O10     相似度:75%
The Journal of Antibiotics          1986          39          1001-1003
3, 3'-NEOTREHALOSADIAMINE (BMY-28251), A NEW AMINOSUGAR ANTIBIOTIC
TAKASHI TSUNO, CHIHARU IKEDA, KEI-ICHI NUMATA, KOJI TOMITA, MASATAKA KONISHI, HIROSHI KAWAGUCHI
Structure      13C NMR   碳谱模拟图
5 .     glu-mannitol
    相似度:75%
Journal of Natural Products          2011          74          1477-1483
Iridoid and Phenylethanoid Glucosides from Veronica lavaudiana
Rilka M. Taskova, Tetsuo Kokubun, Ken G. Ryan, Phil J. Garnock-Jones, and Søren R. Jensen
Structure      13C NMR   碳谱模拟图
6 .     3β-O-α-L-arabinopyranosyl-lup-20(29)-ene-28-O-β-D-glucopyranosyl ester
C41H66O12     相似度:72.7%
Planta Medica          2004          70          960-966
Cytotoxic Saponins from Schefflera rotundifolia
Alessandra Braca,Giuseppina Autore, Francesco De Simone,Stefania Marzocco, Ivano Morelli,Fabio Venturella ,Nunziatina De Tommasi
Structure      13C NMR   碳谱模拟图
7 .     Mixture of α- and β-D-Galactose
    相似度:72.7%
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
8 .     O-α-D-galactopyranosyl-(1f3)-4-O-methyl-D-myo-inositol
    相似度:69.2%
Journal of Natural Products          1997          60          749-751
Structure of Galactosylononitol
Andreas Richter and Thomas Peterbauer
Structure      13C NMR   碳谱模拟图
9 .     acteoside
    相似度:66.6%
Chemical & Pharmaceutical Bulletin          1990          38          2953-2955
Studies on the Constituents of Osmanthus Species. VI. : Structures of Phenylpropanoid Glycosides from the Leaves of Osmanthus asiaticus NAKAI
Masataka SUGIYAMA and Masao KIKUCHI
Structure      13C NMR   碳谱模拟图
10 .     phillyraeoidin B
C75H56O48     相似度:66.6%
Chemical & Pharmaceutical Bulletin          1989          37          2030-2036
Tannins and Related Compounds. LXXXIII. : Isolation and Structures of Hydrolyzable Tannins, Phillyraeoidins A-E from Quercus phillyraeoides
Gen-ichiro NONAKA,Shinji NAKAYAMA and Itsuo NISHIOKA
Structure      13C NMR   碳谱模拟图
专业
4楼2013-02-21 18:38:52
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潘宪伟

木虫 (正式写手)

【答案】应助回帖

第二个

查询结果:共查到791个化合物(查询结果仅供参考)
1 .     2',3'-O-diacetylsalsoloside C
C51H78O20     相似度:75.3%
Phytochemistry          2004          65          741-750
Acetylated glucuronide triterpene bidesmosidic saponins from Symplocos glomerata
Pierre Waffo-Téguo, Laurence Voutquenne, Odile Thoison, Vincent Dumontet,Van Hung Nguyen, Catherine Lavaud
Structure      13C NMR   碳谱模拟图
2 .     3'-O-acetylsalsoloside C
C49H76O19     相似度:70.7%
Phytochemistry          2004          65          741-750
Acetylated glucuronide triterpene bidesmosidic saponins from Symplocos glomerata
Pierre Waffo-Téguo, Laurence Voutquenne, Odile Thoison, Vincent Dumontet,Van Hung Nguyen, Catherine Lavaud
Structure      13C NMR   碳谱模拟图
3 .     2'-O-acetylsalsoloside C
C49H76O19     相似度:70.7%
Phytochemistry          2004          65          741-750
Acetylated glucuronide triterpene bidesmosidic saponins from Symplocos glomerata
Pierre Waffo-Téguo, Laurence Voutquenne, Odile Thoison, Vincent Dumontet,Van Hung Nguyen, Catherine Lavaud
Structure      13C NMR   碳谱模拟图
4 .     3-O-{[β-D-glucopyranosyl (1→2)] [α-L-arabinofuranosyl-(1→4)]-[3-O-acetyl]-β-D-glucuronopyranosyl}-28-O-[β-D-glucopyranosyl]-oleanolic acid
C55H86O24     相似度:69.6%
Phytochemistry          2004          65          741-750
Acetylated glucuronide triterpene bidesmosidic saponins from Symplocos glomerata
Pierre Waffo-Téguo, Laurence Voutquenne, Odile Thoison, Vincent Dumontet,Van Hung Nguyen, Catherine Lavaud
Structure      13C NMR   碳谱模拟图
5 .     3-O-β-D-apiofuranosyl-(1→3)-α-L-arabinopyranosyl-(1→3)-[β-D-glucopyranosyl-(1→2)]-β-D-glucopyranosyl-oleanolic acid
C52H84O21     相似度:69.2%
Phytochemistry          2003                   781-789
Oleanolic glycosides from Pometia ridleyi
Laurence Voutquenne, Pauline Guinot, Odile Thoison,Thierry Sevenet, Catherine Lavaud
Structure      13C NMR   碳谱模拟图
6 .     3-O-[α-L-arabinopyranosyl-(1→4)-[2-O-acetyl]-β-D-glucuronopyranosyl] -28-O- [β-D-glucopyranosyl]-oleanolic acid
C49H76O19     相似度:67.6%
Phytochemistry          2004          65          741-750
Acetylated glucuronide triterpene bidesmosidic saponins from Symplocos glomerata
Pierre Waffo-Téguo, Laurence Voutquenne, Odile Thoison, Vincent Dumontet,Van Hung Nguyen, Catherine Lavaud
Structure      13C NMR   碳谱模拟图
7 .     symplocososide D
C66H106O23     相似度:66.6%
Journal of Natural Products          2004          67          1969-1974
Cytotoxic Triterpenoid Saponins from Symplocos chinensis
Meijun Tang, Diandian Shen, Youcai Hu, Song Gao, and Shishan Yu
Structure      13C NMR   碳谱模拟图
8 .     3-O-β-D-xylopyranosyl-(1→3)-O-α-L-rhamnopyranosyl-(1→2)-O-α-L-arabinopyranoside 28-O-α-L-rhamnopyranosyl-(1→4)-O-6-O-acetyl-β-D-glucopyranosyl-(1→6)-O-β-D-glucopyranosyl ester
    相似度:66.6%
Chemistry of Natural Compounds          2006          42          49-54
TRITERPENE GLYCOSIDES FROM Kalopanax septemlobum.VI. GLYCOSIDES FROM LEAVES OF Kalopanax septemlobum VAR. typicum INTRODUCED TO CRIMEA
D. A. Panov, V. I. Grishkovets, V. V. Kachala, and A. S. Shashkov
Structure      13C NMR   碳谱模拟图
9 .     ST-K1
    相似度:66.1%
Chemistry of Natural Compounds          2004          40          35-39
TRITERPENE GLYCOSIDES OF Tetrapanax papyriferum.IV. ACIDIC GLYCOSIDES FROM STEM BARK OF T. papyriferum
V. S. Strigunov, V. I. Grishkovets, A. S. Shashkov V. V. Kachala, and N. V. Tolkacheva
Structure      13C NMR   碳谱模拟图
10 .     3-O- {[β-D- xylopyranosyl-(1→2)]-[β-D-xylopyranosyl-(1→4)]-[3-O-acetyl]-β-D- glucuronopyranosyl}-28-O- [β-D-glucopyranosyl]-oleanolic acid
C54H84O23     相似度:65.6%
Phytochemistry          2004          65          741-750
Acetylated glucuronide triterpene bidesmosidic saponins from Symplocos glomerata
Pierre Waffo-Téguo, Laurence Voutquenne, Odile Thoison, Vincent Dumontet,Van Hung Nguyen, Catherine Lavaud
Structure      13C NMR   碳谱模拟图
专业
5楼2013-02-21 18:39:59
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