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thanwen

金虫 (小有名气)

[求助] 微谱求助 已有1人参与

DMSO:
16.07,28.58,42.54,59.88,61.04,61.17,61.31,61.38,65.08,67.61,69.96,70.18,70.21,70.27,71.83,73.49,73.68,75.46,76.45,76.53,76.78,77.09,77.12,77.53,77.56,78.83,79.57,82.93,86.97,95.96,97.05,100.07,100.73,101.68,103.74,104.84,107.75,116.7,128.67,132.14,148.74,158.09,163.09,163.41,165.81,197.5
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zyjwd

新虫 (初入文坛)

我也不太会用微谱,这个查出来的化合物和你所说的相似度是68%,你是提的很纯了吗?
3楼2014-11-10 20:31:55
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风行者007

至尊木虫 (著名写手)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★
感谢参与,应助指数 +1
thanwen: 金币+8, ★★★★★最佳答案 2014-11-14 01:30:29
查询结果:共查到40个化合物(查询结果仅供参考)
1 .     Kaempferol-3-O-(2-O-sinapoyl)-β-D-glucopyranosyl-(1→2)-β-D-glucopyranoside-7-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside
    相似度:60.8%
Archives of Pharmacal Research          2009          32          1379-1384
Kaempferol glycosides with antioxidant activity from Brassica juncea
Hyun Ah Jung, Ju Jung Woo, Mee Jung Jung, Geum-Sook Hwang and Jae Sue Choi
Structure      13C NMR   碳谱模拟图
2 .     peonidin 3-O-[6-O-(4-O-(4-O-trans-(β-D-glucopyranosyl)-p-coumaroyl)-α-L-rhamnopyranosyl)-β-D-glucopyranoside]-5-O-[β-D-glucopyranoside]
C49H59O27     相似度:57.4%
Heterocycles          2004          63          509-517
Acylated Peonidin 3-Rutinoside-5-glucosides from Commercial Petunia Cultivars with Pink Flowers
Fumi Tatsuzawa, Yukiko Toya, Hitoshi Watanabe, Yuji Hirayama, Koichi Shinoda, Ritsuko Hara, Hiroko Seki, and Toshio Ando*
Structure      13C NMR   碳谱模拟图
3 .     (-)-(2R,3S)-1-{4-[β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyloxy]benzyl}-2-O-β-D-glucopyranosyl-4-(4-β-D-glucopyranosyloxybenzyl)- 2-isobutyltartrate
C46H66O28     相似度:56.5%
Journal of Natural Products          2008          71(5)          799-805
Glycosidic Constituents of the Tubers of Gymnadenia conopsea
Jiachen Zi, Shuai Li, Mingtao Liu, Maoluo Gan, Sheng Lin, Weixia Song, Yanling Zhang, Xiaona Fan, Yongchun Yang, Jianjun Zhang, Jiangong Shi, and Duolong Di
Structure      13C NMR   碳谱模拟图
4 .     4''-O-alpha-D-maltosyl stevioside
C50H80O28     相似度:56.5%
Biotechnology Letters          2009          31          1415-1420
Simple and efficient enzymatic transglycosylation of stevioside by β-cyclodextrin glucanotransferase from Bacillus firmus
V. Jaitak, V. Kumar Kaul, Bandna, N. Kumar, B. Singh, L. S. Savergave, V. V. Jogdand, S. Nene
Structure      13C NMR   碳谱模拟图
5 .     I-(2,3)-dihydro-I-7,II-7-di-O-β-D-glucopyranosyl-amentoflavone
C42H40O20     相似度:56.5%
Natural Product Research          2014          28          41-47
Two new dihydroamentoflavone glycosides from Cycas revoluta
Abeer Moawad, Mona Hetta, Jordan K. Zjawiony, Daneel Ferreira & Mohamed Hifnawy
Structure      13C NMR   碳谱模拟图
6 .     ajugasalicioside D
C47H78O19     相似度:55.3%
Helvetica Chimica Acta          2002          Vol. 85          1930
Novel Antileukemic Sterol Glycosides from Ajuga salicifolia
Pmar Akbaya), Jürg Gertscha), Ihsan Çalisb), Jörg Heilmanna), Oliver Zerbea), and Otto Sticher
Structure      13C NMR   碳谱模拟图
7 .     kaempferol 3-O-(β-glucopyranoside)-7-O-[4-O-(β-glucopyranosyl)-β-glucopyranoside]-4'-O-(β-glucopyranoside)
C49H58O29     相似度:55.3%
Phytochemistry          2011          72          2219-2229
The blue anthocyanin pigments from the blue flowers of Heliophila coronopifolia L.(Brassicaceae)
Norio Saito, Fumi Tatsuzawa, Kenjiro Toki, Koichi Shinoda, Atsushi Shigihara, Toshio Honda
Structure      13C NMR   碳谱模拟图
8 .     patuletin-3-O-[β-D-glucopyranosyl-(1→3)-2-O-E-caffeoyl-β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside]
C43H48O26     相似度:54.3%
Phytochemistry          2008          69          1279-1286
Antibacterial phenolic components from Eriocaulon buergerianum
Jing-Jing Fang , Guan Ye , Wen-Liang Chen , Wei-Min Zhao
Structure      13C NMR   碳谱模拟图
9 .     4'-O-alpha-D-glycosyl stevioside
C44H70O23     相似度:54.3%
Biotechnology Letters          2009          31          1415-1420
Simple and efficient enzymatic transglycosylation of stevioside by β-cyclodextrin glucanotransferase from Bacillus firmus
V. Jaitak, V. Kumar Kaul, Bandna, N. Kumar, B. Singh, L. S. Savergave, V. V. Jogdand, S. Nene
Structure      13C NMR   碳谱模拟图
10 .     Vandateroside III
C52H65NO24     相似度:54.3%
Journal of Natural Products          2011          74          949-955
Glucosyloxybenzyl Eucomate Derivatives from Vanda teres Stimulate HaCaT Cytochrome c Oxidase.
Charlotte Simmler, Cyril Antheaume, Patrice André, Frédéric Bonté, and Annelise Lobstein
Structure      13C NMR   碳谱模拟图
11 .     acacetin-7-O-β-D-glucopyranosyl-(1→2)-6-O-acetyl-β-D-glucopyranosyl-(1→2)-[α-L-rhamnopyranosyl-(1→6)]-β-D-glucopyranoside
C42H54O25     相似度:54.3%
Journal of Natural Products          2013          76          186-193
Flavone Tetraglycosides and Benzyl Alcohol Glycosides from the Mongolian Medicinal Plant Dracocephalum ruyschiana
Erdenechimeg Selenge, Toshihiro Murata, Kyoko Kobayashi, Javzan Batkhuu, and Fumihiko Yoshizaki
Structure      13C NMR   碳谱模拟图
12 .     apigenin-7-O-β-D-glucopyranosyl-(1→2)-β-D-glucopyranosyl-(1→2)-[α-L-rhamnopyranosyl-(1→6)]-β-D-glucopyranoside
C41H52O25     相似度:54.3%
Journal of Natural Products          2013          76          186-193
Flavone Tetraglycosides and Benzyl Alcohol Glycosides from the Mongolian Medicinal Plant Dracocephalum ruyschiana
Erdenechimeg Selenge, Toshihiro Murata, Kyoko Kobayashi, Javzan Batkhuu, and Fumihiko Yoshizaki
Structure      13C NMR   碳谱模拟图
13 .     pisumflavonoside II
C48H56O29     相似度:54.1%
Chemical & Pharmaceutical Bulletin          2001          49(8)          1003-1008
Medicinal Foodstuffs. XXV.1) Hepatoprotective Principle and Structures of Ionone Glucoside, Phenethyl Glycoside, and Flavonol Oligoglycosides from Young Seedpods of Garden Peas, Pisum sativum L.
Toshiyuki MURAKAMI, Kentarou KOHNO, Kiyofumi NINOMIYA, Hisashi MATSUDA, and Masayuki YOSHIKAWA
Structure      13C NMR   碳谱模拟图
14 .     embinoidin
C29H34O15     相似度:53.1%
Molecules          2012          17          7914-7926
Variable-Temperature 1H-NMR Studies on Two C-Glycosylflavones
Julia H. Frank, Yomica L. Powder-George, Russel S. Ramsewak and William F. Reynolds
Structure      13C NMR   碳谱模拟图
15 .     kaempferol-3-O-β-D-[2-E-sinapoyl-β-D-glucopyranosyl(1→2)glucopyranoside]-7-O-β-D-[β-D-glucopyranosyl(1→4)glucopyranoside]
    相似度:53.0%
Phytochemistry          1998          49          2171-2176
Kaempferol tetraglucosides from cabbage leaves
Jens K. Nielsen, Rikke Nørbæk, Carl E. Olsen
Structure      13C NMR   碳谱模拟图
16 .     kaempferol-3-O-β-D-[2-E-feruloyl-β-D-glucopyranosyl(1→2)glucopyranoside]-7-O-β-D-[β-D-glucopyranosyl(1→4)-glucopyranoside]
    相似度:53.0%
Phytochemistry          1998          49          2171-2176
Kaempferol tetraglucosides from cabbage leaves
Jens K. Nielsen, Rikke Nørbæk, Carl E. Olsen
Structure      13C NMR   碳谱模拟图
17 .     kaempferol 3-O-robinoside-7-O-(2''''-(E)-feruloyl)-sophoroside
C49H58O28     相似度:53.0%
Journal of Asian Natural Products Research          2014          16          434-439
Three new flavonol glycosides from Suaeda maritima
Rasha R. Abd El-Latif, Ragaa M.A. Mansour, Mohamed Sharaf & Ahmad Farag
Structure      13C NMR   碳谱模拟图
18 .     pelargonidin 3-O-[6-O-(E)-feruloyl-2-O-β-D-glucopyranosyl]-(1→2)-β-D-glucopyranoside]-5-O-(β-D-glucopyranoside)
C43H49O23     相似度:52.1%
Phytochemistry          2002          60          79-87
Acylated anthocyanins from red radish (Raphanus sativus L.)
Takashi Otsuki, Hiroshi Matsufuji, Mitsuharu Takeda, Masatake Toyoda, Yukihiro Goda
Structure      13C NMR   碳谱模拟图
19 .     pelargonidin 3-O-[6-O-(E)-caffeoyl-2-O-β-D-glucopyranosyl]-(1→2)-β-D-glucopyranoside)-5-O-(β-D-glucopyranoside)
C42H47O23     相似度:52.1%
Phytochemistry          2002          60          79-87
Acylated anthocyanins from red radish (Raphanus sativus L.)
Takashi Otsuki, Hiroshi Matsufuji, Mitsuharu Takeda, Masatake Toyoda, Yukihiro Goda
Structure      13C NMR   碳谱模拟图
20 .     Isorhamnetin 3-O-rutinoside-7-O-rutinoside-4'-O-β-glucoside
    相似度:52.1%
Journal of Asian Natural Products Research          2007          9          617-629
Further flavonol and iridoid glycosides from Ajuga remota aerial parts
LAWRENCE ONYANGO AROT MANGURO, JOSEPH ACHOLA OGUR, DENNIS MAGIO OKORA, SAMUEL OTIENO WAGAI and PETER LEMMEN
Structure      13C NMR   碳谱模拟图
21 .     kaempferol 3-O-(6'''-p-coumaroylglucosyl)-(1→2)-rhamnoside-7-O-glucoside
    相似度:52.1%
Fitoterapia          2001          72          532-537
Flavonol glycosides from Mentha la andulacea
S.K. El-Desoky, M.A. El-Ansari , S.I. El-Negoumy
Structure      13C NMR   碳谱模拟图
22 .     cyanidin 3-O-(2-O-(6-O-(E)-p-coumaroyl-β-D-glucopyranosyl)-β-D-glucopyranoside)-5-O-β-D-glucopyranoside(YGM-0f ')
C42H46O23     相似度:52.1%
Phytochemistry          2000          54          919-922
Anthocyanins in callus induced from purple storage root of Ipomoea batatas L.
Norihiko Terahara, Izabela Konczak-Islam, Makoto Nakatani, Osamu Yamakawa, Yukihiro Godac, Toshio Honda
Structure      13C NMR   碳谱模拟图
23 .     YGM-2
C42H46O24     相似度:52.1%
Phytochemistry          1997          44          183-186
Two acylated anthocyanins from purple sweet potato
Yukihiro Goda, Takashige Shimizu, Yoshiaki Kato, Mikio Nakamura, Tamio Maitani, Takashi Yamada, Norihko Terahara, Masaatu Yamaguchi
Structure      13C NMR   碳谱模拟图
24 .     acacetin-7-O-β-D-glucopyranosyl-(1→2)-3-O-acetyl-β-D-glucopyranosyl-(1→2)-[α-L-rhamnopyranosyl-(1→6)]-β-D-glucopyranoside
C42H54O25     相似度:52.1%
Journal of Natural Products          2013          76          186-193
Flavone Tetraglycosides and Benzyl Alcohol Glycosides from the Mongolian Medicinal Plant Dracocephalum ruyschiana
Erdenechimeg Selenge, Toshihiro Murata, Kyoko Kobayashi, Javzan Batkhuu, and Fumihiko Yoshizaki
Structure      13C NMR   碳谱模拟图
25 .     kaempferol-3-O-β-D-[2-E-caffeoyl-β-D-glucopyranosyl(1→2)glucopyranoside]-7-O-β-D-[β-D-glucopyranosyl(1→4)glucopyranoside]
    相似度:52.0%
Phytochemistry          1998          49          2171-2176
Kaempferol tetraglucosides from cabbage leaves
Jens K. Nielsen, Rikke Nørbæk, Carl E. Olsen
Structure      13C NMR   碳谱模拟图
26 .     OS2
    相似度:52.0%
Chemistry-A European Journal          2008          14          9368-9376
Highly Phosphorylated Core Oligosaccaride Structures from Cold-Adapted Psychromonas arctica
Maria M. Corsaro, Giuseppina Pieretti, Buko Lindner, Rosa Lanzetta, Ermenegilda Parrilli, Maria L. Tutino and Michelangelo Parrilli
Structure      13C NMR   碳谱模拟图
27 .     paraquinin A
C28H32O15     相似度:51.0%
Journal of Asian Natural Products Research          2011          13          409-416
Three new flavone C-glycosides from the aerial parts of Paraquilegia microphylla
Kai-Jie Xu; Xue-Min Xu; Wen-Long Deng; Lei Zhang; Ming-Kui Wang; Li-Sheng Ding
Structure      13C NMR   碳谱模拟图
28 .     apigenin 6-C-β-chinovopyranosyl-8-C-β-galactopyranoside
    相似度:50.9%
Journal of Agricultural and Food Chemistry          2010          58          7211-7217
Flavone C-Glycosides from Seeds of Fenugreek, Trigonella foenum-graecum L.
Saleh Rayyan, Torgils Fossen and Øyvind M. Andersen
Structure      13C NMR   碳谱模拟图
29 .     cyanidin 3-[2-(glucosyl)-6-(4-(glucosyl)-p -coumaroyl)-glucoside]-5-[6-(malonyl)-glucoside]
C51H59O31     相似度:50%
Phytochemistry          2008          69          3139-3150
Tetra-acylated cyanidin 3-sophoroside-5-glucosides from the flowers of Iberis umbellata L. (Cruciferae)
Norio Saito, Fumi Tatsuzawa, Eri Suenaga, Kenjiro Toki, Koichi Shinoda,Atsushi Shigihara, Toshio Honda
Structure      13C NMR   碳谱模拟图
30 .     pelargonidin 3-O-[6-O-(E)-feruloyl-2-O-β-D-glucopyranosyl]-(1→2)-β-D-glucopyranoside]-5-O-(β-D-glucopyranoside)
C43H49O23     相似度:50%
Phytochemistry          2002          60          79-87
Acylated anthocyanins from red radish (Raphanus sativus L.)
Takashi Otsuki, Hiroshi Matsufuji, Mitsuharu Takeda, Masatake Toyoda, Yukihiro Goda
Structure      13C NMR   碳谱模拟图
31 .     (-)-syringaresinol-4,4'-bis-O-β-D-apiofuranosyl(1→2)-β-D-glucopyranoside
    相似度:50%
Chemical & Pharmaceutical Bulletin          1991          39          1623-1625
THE FIRST ISOLATION OF LIGNAN TRI- AND TETRA-GLYCOSIDES
Junei KINJO,Katsura FUKUI,Hiroyuki HIGUCHI and Toshihiro HOHARA
Structure      13C NMR   碳谱模拟图
32 .     capilliposide I
    相似度:50%
Journal of Asian Natural Products Research          2002          4          17-23
FLAVONOL GLYCOSIDES FROM LYSIMACHIA CAPILLIPES
CHEN XIE, LI-ZHEN XU, XIU-ZHEN LUO, ZHONG ZHONG and SHI-LIN YANG
Structure      13C NMR   碳谱模拟图
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2楼2014-11-10 20:28:11
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thanwen

金虫 (小有名气)

引用回帖:
3楼: Originally posted by zyjwd at 2014-11-10 20:31:55
我也不太会用微谱,这个查出来的化合物和你所说的相似度是68%,你是提的很纯了吗?

是纯的。微谱查询结果只是给个参考,你实际的化合物结构可能与查出来的结构南辕北辙。按我的经验,如果相似度大于90%甚至95%的话,结果还是比较可信的,很可能就是这个结构,如果在70~80%左右那应该骨架相同或类似,如果相似度再低就仅作参考了。
4楼2014-11-14 01:36:39
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