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阿lei

铜虫 (小有名气)

[求助] 急求微谱库查询!非常感谢!

化合物1: C-NMR数据如下(溶剂DMSO):
17.89,55.81,59.90,61.00,68.10,69.78,69.97,70.23,70.35,71.63,71.98,73.53,74.41,75.63,76.56,77.41,93.76,96.97,98.27,98.49,99.26,105.42,105.45,115.17,115.43,120.89,124.31,130.87,133.13,137.92,144.46,147.71,155.65,155.71,159.97,160.63,161.50,165.65,177.39

化合物2: C-NMR数据如下(溶剂DMSO):
17.90,59.86,64.21,67.44,69.81,69.98,70.04,70.25,71.62,72.91,73.97,74.80,75.77,76.04,81.93,94.10,98.44,98.46,99.20,105.00,105.45,115.18,115.77,122.14,128.08,128.74,129.42,132.71,133.26,144.93,155.64,155.70,160.86,161.37,165.40,177.37
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yaolan123

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【答案】应助回帖

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感谢参与,应助指数 +1
阿lei(豆哥代发): 金币+20, 谢谢 2013-05-08 08:14:43
化合物1
1 .     Kaempferol-3-O-(2-O-sinapoyl)-β-D-glucopyranosyl-(1→2)-β-D-glucopyranoside-7-O-β-D-glucopyranoside
    相似度:84.6%
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 .     quercetin 3-O-β-D-[2''-O-β-D-(6'''-O-E-4-sinapoyl)glucopyranosyl]glucopyranosyl-7-O-α-L-rhamnopyranoside
C44H50O25     相似度:82.9%
Natural Product Research          2001          15          211-216
Flavonol Glycosides from Elaeagnus Lanceollata (Elaeagnaceae)
Shu-Geng Cao; Toshiyuki Tanaka; Mizuo Mizuno; Kenichiro Inoue
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

3 .     kaemferol-3-O-β-D-glucopyranosyl-7-O-[(2-O-trans-sinnapoyl)-β-D-glucopyranosyl(1→6)]-β-D-glucopyranoside
    相似度:78.0%
Acta Pharmaceutica Sinica          2004          Vol 39          46-51
Isolation and structure identification of chemical constituents from the seeds of Descurainia sophia (L.) Webb ex Prantl
WANG Ai qin; WANG Xiu kun; LI Jun lin; CUI Xiang yu
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

4 .     kaempferol 3-O-α-L-rhamnopyranosyl(1→6)-β-D-glucopyranosyl(1→6)-β-D-glucopyranoside-7-O-α-L-rhamnopyranoside
C39H50O24     相似度:76.9%
Phytochemistry          2003                   463-465
A flavonol tetraglycoside from Sophora japonica seeds
Jing-Hua Wang, Feng-Chang Lou, Ya-Lin Wang, Yu-Ping Tang
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

5 .     kaempferol 3-O-β-D-apiofuranoside 7-O-α-L-rhamnosyl-(1''''→6''')-O-β-D-(2'''-O-E-caffeoylgalactopyranoside)
C41H44O22     相似度:76.9%
Phytochemistry          2002          60          835-838
Kaempferol triosides from Silphium perfoliatum
Nabil H. El-Sayed, Ma gorzata Wojcińska, Krystyna Drost-Karbowska,Irena Mat awska, Jeffrey Williams, Tom J. Mabry
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

6 .     compound 2
    相似度:76.7%
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
--------------------------------------------------------------------------------

7 .     kaempferol-3-O-β-D-[2-E-sinapoyl-β-D-glucopyranosyl(1→2)glucopyranoside]-7-O-β-D-glucopyranoside
    相似度:76.7%
Phytochemistry          1993          34          539-544
Acylated flavonol glycosides from cabbage leaves
Jens K. Nielsen, Carl E. Olsen, Marianne K. Petersen
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

8 .     kaempferol 3-O-α-L-[6'''-p-coumaroyl-(β-D)-glucopyranosyl-(1,2)-rhamnopyranoside]-7-O-β-D-glucopyranoside
C42H46O22     相似度:75%
Phytochemistry          2001          58          1251-1256
Coumaroyl flavonol glycosides from the leaves of Ginkgo biloba
Yuping Tang, Fengchang Lou, Jinghua Wang, Yanfang Li, Shufei Zhuang
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

9 .     compound III
C43H48O23     相似度:74.4%
Planta Medica          1997          63          329-334
New Flavonoids from the Aerial Parts of Aconitum chilsanense
Hyeh Jean jeong, Wan Kyunn Whang, and II Hyuk Kim
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

10 .     kaempferol 3-[2-(glucosyl)-6-(3-hydroxy-3-methylglutaroyl)-galactoside]-7-rhamnoside
C39H48O24     相似度:74.3%
Heterocycles          2009          78          2287-2294
Flavonoid Glycosides Isolated from the Blue Flowers of Nigella damascena
Kenjiro Toki, Norio Saito, Ai Nogami, Fumi Tatsuzawa, Atsushi Shigihara, and Toshio Honda
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

11 .     kaempferol 3-O-(2,6-di-O-β-D-glucopyranosyl)-β-D-glucopyranoside-7-O-α-L-rhamnopyranoside
C39H50O25     相似度:74.3%
Journal of Agricultural and Food Chemistry          2011          59          6947-6956
Polymorphism for Novel Tetraglycosylated Flavonols in an Eco-model Crucifer, Barbarea vulgaris
Lea Dalby-Brown, Carl Erik Olsen, Jens Kvist Nielsen, and Niels Agerbirk
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

12 .     myriophylloside F
C42H46O23     相似度:73.8%
Chemical & Pharmaceutical Bulletin          2004          52(2)          276-278
New Flavonoids from Oxytropis myriophylla
Jiang-hai LU, Yi LIU, Yu-ying ZHAO, and Guang-zhong TU
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

13 .     myriophylloside D
C41H44O21     相似度:73.1%
Chemical & Pharmaceutical Bulletin          2004          52(2)          276-278
New Flavonoids from Oxytropis myriophylla
Jiang-hai LU, Yi LIU, Yu-ying ZHAO, and Guang-zhong TU
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

14 .     quercetin 3-O-p-coumaryl-(1→6)-β-glucopyranosyl(1→6)-β-glucopyranoside-7-O-α-rhamnopyranoside
    相似度:72.5%
Phytochemistry          1991          30          3777-3779
Flavonoids ofOchradenus baccatus
H.H. Barakat, A.M.D. El-Mousallamy, A.M.A. Souleman, S. Awadalla
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

15 .     kaempferol-3-O-β-D-[2-E-feruloyl-β-D-glucopyranosyl(1→2)glucopyranoside]-7-O-β-D-glucopyranoside
    相似度:72.0%
Phytochemistry          1993          34          539-544
Acylated flavonol glycosides from cabbage leaves
Jens K. Nielsen, Carl E. Olsen, Marianne K. Petersen
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

16 .     desacyl-gladiatoside A
C39H50O24     相似度:71.7%
Chemical & Pharmaceutical Bulletin          2000          48(11)          1673-1680
Medicinal Foodstuffs. XIX. Absolute Stereostructures of Canavalioside, a New Ent-Kaurane-Type Diterpene Glycoside, and Gladiatosides A1, A2, A3, B1, B2, B3, C1, and C2, New Acylated Flavonol Glycosides, from Sword Bean, the Seeds of Canavalia gladiata
Toshiyuki MURAKAMI,Kentarou KOHNO,Akinobu KISHI,Hisashi MATSUDA and Masayuki YOSHIKAWA
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

17 .     kaempferol 3-O-β-D-glucopyranosyl(1→2)-O-[α-1-rhamnopyranosyl(1→6)]-β-D-galactopyranoside-7-O-α-1-rhamnopyranoside
    相似度:71.7%
Phytochemistry          1994          36          229-231
Flavonol glycosides from Cephalocereus senilis
Liu Qin, Liu Ming, Tom J. Mabry, Richard A. Dixon
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

18 .     Kaempferol 3-O-β-D-Glucopyranosyl-(1→6)-β-D-galactopyranosyl-7-O-β-D-glucopyranosyl-(1→3)-α-L-rhamnopyranoside
C39H50O25     相似度:71.7%
Helvetica Chimica Acta          2010          93          536-541
Three New Kaempferol Glycosides from Cardamine leucantha
Fan Yang, Yan-Fang Su, Yan-Ping Bi, Jing Xu, Zhi-Qiang Zhu, Guang-Zhong Tu and Xiu-Mei Gao
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

19 .     quercetin 3-O-(2,6-di-O-β-D-glucopyranosyl)-β-D-glucopyranoside-7-O-α-L-rhamnopyranoside
    相似度:71.7%
Journal of Agricultural and Food Chemistry          2011          59          6947-6956
Polymorphism for Novel Tetraglycosylated Flavonols in an Eco-model Crucifer, Barbarea vulgaris
Lea Dalby-Brown, Carl Erik Olsen, Jens Kvist Nielsen, and Niels Agerbirk
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

20 .     compound I
C42H46O23     相似度:71.4%
Planta Medica          1997          63          329-334
New Flavonoids from the Aerial Parts of Aconitum chilsanense
Hyeh Jean jeong, Wan Kyunn Whang, and II Hyuk Kim
Structure      13C NMR   碳谱模拟图
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2楼2013-05-07 21:47:12
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阿lei

铜虫 (小有名气)

引用回帖:
2楼: Originally posted by yaolan123 at 2013-05-07 21:47:12
化合物1
1 .     Kaempferol-3-O-(2-O-sinapoyl)-β-D-glucopyranosyl-(1→2)-β-D-glucopyranoside-7-O-β-D-glucopyranoside
    相似度:84.6%
Archives of Pharmacal Research          2009          32    ...

您好!化合物2呢?
3楼2013-05-07 22:08:58
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