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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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潘宪伟

木虫 (正式写手)

【答案】应助回帖

第四个

查询结果:共查到4882个化合物(查询结果仅供参考)
1 .     gypsogenin
    相似度:84.8%
Archives of Pharmacal Research          1985          8          133-137
Phytochemical study on Melandrium firmum
Won Sick Woo, Jae Sue Choi and Hye Soon Chang
Structure      13C NMR   碳谱模拟图
2 .     compound 5
    相似度:84.8%
Tetrahedron          1994          50          12811-12820
Triterpenoid saponins from Dianthus chinensis
Kazuo Koike, Hongyu Li, Zhonghua Jia, Hitomi Muraoka, Satoko Fukui, Masako Inoue, Taichi Ohmoto
Structure      13C NMR   碳谱模拟图
3 .     compound 6
    相似度:84.8%
Tetrahedron          1994          50          12811-12820
Triterpenoid saponins from Dianthus chinensis
Kazuo Koike, Hongyu Li, Zhonghua Jia, Hitomi Muraoka, Satoko Fukui, Masako Inoue, Taichi Ohmoto
Structure      13C NMR   碳谱模拟图
4 .     3-O-acetyl-11-oxo-18β-oleanolic acid
    相似度:81.8%
Chemistry of Natural Compounds          1992          28          1-23
13C NMR SPECTROSCOPY OF OLEANANE DERIVATIVES
A. I. Kalinovskii
Structure      13C NMR   碳谱模拟图
5 .     compound 9
    相似度:78.7%
Chemical & Pharmaceutical Bulletin          1989          37          895-900
Studies on the Constituents of Luffa operculata COGN. II. : Isolation and Structure Elucidation of Saponins in the Herb
Hikaru OKABE,Tsuneatsu NAGAO,Shizuko HACHIYAMA and Tatsuo YAMAUCHI
Structure      13C NMR   碳谱模拟图
6 .     gypsogenin methyl ester acetate
    相似度:75.7%
Planta Medica          1989          55          544-547
Sapogenins from Melandriumfirmum
Ilye Soon Chang,Young Bong Han,Won Sick Woo,Sam Sik Kang,Hermann Lotter, and Hildebert Wagner
Structure      13C NMR   碳谱模拟图
7 .     compound 9
C30H46O4     相似度:75.7%
Chemical & Pharmaceutical Bulletin          1985          33          464-478
Studies on the Constituents of Momordica cochinchinensis SPRENG. I. Isolation and Characterization of the Seed Saponins, Momordica Sapponins I and II
MASAYO IWAMOTO,HIKARU OKABE,TATSUO YAMAUCHI,MASAKO TANAKA,YOSHIE ROKUTANI,SHUJI HARA,KUNIHIDE MIHASHI and RYUICHI HIGUCHI
Structure      13C NMR   碳谱模拟图
8 .     compound 10
C33H50O5     相似度:75.7%
Chemical & Pharmaceutical Bulletin          1985          33          464-478
Studies on the Constituents of Momordica cochinchinensis SPRENG. I. Isolation and Characterization of the Seed Saponins, Momordica Sapponins I and II
MASAYO IWAMOTO,HIKARU OKABE,TATSUO YAMAUCHI,MASAKO TANAKA,YOSHIE ROKUTANI,SHUJI HARA,KUNIHIDE MIHASHI and RYUICHI HIGUCHI
Structure      13C NMR   碳谱模拟图
9 .     gypsogenin
    相似度:75.7%
Journal of Asian Natural Products Research          2000          2          187-193
Three New Triterpenoid Saponins from the Seeds of Vaccaria segetalis
SHENG-MIN SANG, AI-NA LAO , ZHONG-LIANG CHEN,JUN UZAWA and YASUO FUJlMOTO
Structure      13C NMR   碳谱模拟图
10 .     quillaic acid
    相似度:75.7%
China Journal of Chinese Materia Medica          2006          31          1640-1641
丝石竹三萜成分的研究
罗建光, 张 洁, 孔令义
Structure      13C NMR   碳谱模拟图
专业
7楼2013-02-21 18:42:27
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查看全部 12 个回答

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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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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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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