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小木虫论坛-学术科研互动平台 » 生物医药区 » 药学 » 天然药物化学 » 微谱13C NMR数据库 查未知化合物结构
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瑞瑞syh

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[求助] 微谱13C NMR数据库 查未知化合物结构 已有1人参与

有化合物碳谱数据如下，求相似结构（嘻嘻，越高越好啊！）。谢谢！谢谢！（邮箱syh1138596293@163.com）
17.326,17.326,17.823,17.823,62.712,63.830,65.670,68.637,69.505,69.816,69.913,70.240,70.565,71.578,73.585,73.637,73.754,73.872,74.238,76.017,76.255,
76.419,76.803,78.578,79.891,94.150,98.511,99.184,100.158,103.143,103.620,104.880,105.536,113.421,113.881,115.161,115.161,115.266,115.266,115.498,
115.498,115.498,120.003,124.471,124.899,129.279,129.279,129.899,129.899,130.414,130.414,134.450,144.400,144.623,155.627,156.386,159.446,159.593,
160.197,160.739,161.610,166.190,166.361,177.512
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风行者007

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【答案】应助回帖

★ ★
感谢参与，应助指数 +1
瑞瑞syh: 金币+2, ★★★很有帮助, 谢谢！非常感谢你！ 2014-06-15 23:09:07
查询结果：共查到20个化合物(查询结果仅供参考)
1 .     paniculatonoid B
C63H72O33     相似度:87.5%
Acta Pharmaceutica Sinica          2000          Vol 35          208-211
STUDY ON THE FLAVONOIDS FROM THE SEEDS OF KOELREUTERIA PANICULATA LAXM
Yang Xiaofeng; Lei Haimin; Fu Hongzheng and Lin Wenhan
Structure      13C NMR   碳谱模拟图
2 .     cyanidin 3-O-[2-O-(6-O-E-coumaroyl-β-D-glucopyranosyl)]-{6-O-[4-O-(6-O-E-coumaroyl-β-D-glucopyranosyl)-E-caffeoyl] -β-D-glucopyranosyl} -5-O- β-D-glucopyranoside
C66H69O33     相似度:64.6%
Phytochemistry          2003          64          1395-1399
Two triacylated and tetraglucosylated anthocyanins from Ipomoea asarifolia flowers
Eloi Pale, Marie Kouda-Bonafos, Mouhoussine Nacro, Maurice Vanhaelen, Renée Vanhaelen-Fastré
Structure      13C NMR   碳谱模拟图
3 .     ternatin D2
C69H71O36     相似度:60.9%
Journal of Natural Products          1996          59          139-144
Five New Anthocyanins, Ternatins A3, B4, B3, B2, and D2, from Clitoria ternatea Flowers
Norihiko Terahara and Masahiro Oda
Structure      13C NMR   碳谱模拟图
4 .     potentilin A
C60H52O26     相似度:59.3%
Journal of Asian Natural products Research          2010          12          529-534
Flavonol glycosides and monoterpenoids from Potentilla anserina
Jian-Fu Xu; Xiu-Ping Zheng; Wei-Dong Liu; Rui-Fang Du; Li-Fu Bi; Pei-Cheng Zhang
Structure      13C NMR   碳谱模拟图
5 .     (6I-O-(delphinidin 3-O-(3I-O-(acetyl)-β-glucopyranosideI)))(2VI-O-(kaempferol 3-O-(2II-O-β-glucopyranosylIII)-β-glucopyranosideII)-7-O-(β-glucosiduronic acidVI)))
C59H60O37     相似度:59.3%
Phytochemistry          2012          80          99-108
Covalent anthocyanin–flavonol complexes from the violet-blue flowers of Allium ‘Blue Perfume’
Norio Saito, Maiko Nakamura, Koichi Shinoda, Naho Murata, Toshinari Kanazawa, Kazuhisa Kato, Kenjiro Toki, Hiroko Kasai, Toshio Honda, Fumi Tatsuzawa
Structure      13C NMR   碳谱模拟图
6 .     elargonidin3-O-[-2-O-(6-O-(trans-3-O-(β-D-glucopyranosyl)-caffeyl)-β-D-glucopytanosyl)-6-O-(trans-4-O-(6-O-(trans-caffeyl)-β-D-glucopyranosyl)-caffeyl)-β-D-glucopyranoside-5-O-[β-D-glucopyranoside]
C79H78O39     相似度:57.9%
Phytochemistry          1996          43          1365-1370
Acylated pelargonidin glycosides in red-purple flowers of Ipomoea purpurea
Norio Saito, Fumi Tatsuzawa, Masato Yokoi?, Kichiji Kasahara, Shigeru Iida, Atsushi Shigihara, Toshio Honda
Structure      13C NMR   碳谱模拟图
7 .     kaempferol-3-O-[β-d-glucopyranosyl(1→6)-{α-L-rhamnopyranosyl(1→3)}-(2-O-trans-p-coumaroyl)]-β-D-glucopyranoside-7-O-[α-L-rhamnopyranosyl(1→3)-α-L-rhamnopyranosyl(1→3)-(4-O-cis-p-coumaroyl)]-α-L-rhamnopyranoside
    相似度:57.8%
Phytochemistry          2003          64          589-594
Acylated flavonol glycosides from leaves of Planchonia grandis
Marie-Laure Crublet, Christophe Long, Thierry Sévenet, Hamid A.Hadi ,Catherine Lavaud
Structure      13C NMR   碳谱模拟图
8 .     pigment E
C72H78O39     相似度:57.5%
Heterocycles          2001          55          1241-1248
Acylated Pelargonidin 3-Sophoroside-5-glucosides from the Flowers of the Japanese Morning Glory Cultivar ‘Violet'
Kenjiro Toki, Norio Saito, Shigeru Iida, Atsushi Hoshino, Atsushi Shigihara, and Toshio Honda
Structure      13C NMR   碳谱模拟图
9 .     polygalajaponicose I
C75H90O40     相似度:56.2%
Phytochemistry          2008          69          1617-1624
Oligosaccharide polyester and triterpenoid saponins from the roots of Polygala japonica
Jing Fu,Li Zuo,Jingzhi Yang,Ruoyun Chen,Dongming Zhang
Structure      13C NMR   碳谱模拟图
10 .     kaempferol-3-O-[β-d-glucopyranosyl (1→6)-{α-L-rhamnopyranosyl(1→3)}-(2-O-trans-p-coumaroyl)]-β-D-glucopyranoside-7-O-[α-L-rhamnopyranosyl(1→3)-α-L-rhamnopyranosyl(1→3)-(4-O-trans-p-coumaroyl)]-α-L-rhamnopyranoside
C69H82O36     相似度:56.2%
Phytochemistry          2003          64          589-594
Acylated flavonol glycosides from leaves of Planchonia grandis
Marie-Laure Crublet, Christophe Long, Thierry Sévenet, Hamid A.Hadi ,Catherine Lavaud
Structure      13C NMR   碳谱模拟图
11 .     Kaempferol-3-O-α-L-(2a′,3a′-E-di-p-coumaroyl)-rhamnoside 7-O-(6′′′′-O-acetyl-β-D-glucopyrano-syl-(1→3)-[α-L-rhamnopyranosyl-(1→2)]-β-D-glucopyranoside
C59H64O29     相似度:56.2%
Molecules          2007          12          328-344
Acylated Flavone Glycosides from the Roots of Saussurea lappa and Their Antifungal Activity
Kolisetty S. Rao, Goriparthi V. Babu and Yemireddy V. Ramnareddy
Structure      13C NMR   碳谱模拟图
12 .     6'''-p-hydroxybenzoylspinosin
    相似度:54.5%
Shoyakugaku Zasshi          1991          45          148-152
Studies on the Constituents of Ziziphus jujua MILLER
TANAKA YUMI, SANADA SHUICHI
Structure      13C NMR   碳谱模拟图
13 .     cyanidin 3-[2-(2-(sinapoyl)-glucosyl)-6-(4-(6-(feruloyl)-glucosyl)-p -coumaroyl)-glucoside]-5-[6-(malonyl)-glucoside]
C72H77O38     相似度:54.4%
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
14 .     assamsaponin J
C53H86O24     相似度:53.1%
Chemical & Pharmaceutical Bulletin          2000          48(11)          1720-1725
Bioactive Saponins and Glycosides. XVII. Inhibitory Effect on Gastric Emptying and Accelerating Effect on Gastrointestinal Transit of Tea Saponins : Structures of Assamsaponins F, G, H, I, and J from the Seeds and Leaves of the Tea Plant
Toshiyuki MURAKAMI,Junko NAKAMURA,Tadashi KAGEURA,Hisashi MATSUDA and Masayuki YOSHIKAWA
Structure      13C NMR   碳谱模拟图
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