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Artclass

木虫 (小有名气)

[求助] 微谱求助,谢谢

溶剂是甲醇,碳谱数据如下:

39.5, 50.9, 71.9, 114.6, 114.6, 127.8, 130.0, 130.0, 155.8, 174.4


辛苦各位了,非常感谢~
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wangwang1989

至尊木虫 (职业作家)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与,应助指数 +1
Artclass: 金币+15, ★★★★★最佳答案, 谢谢 2013-06-19 09:05:04
查询模式:模糊查询
碳谱数据输入:
按从小到大顺序输入,数字间用英文半角逗号(,)分隔例如:
21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2

溶剂选项:
匹配容差: (数字格式,可自行设定)
相似度:   %(相似度>=50%)



查询结果:共查到20个化合物(查询结果仅供参考)
1 .     [2-13C](S)-3-(4-hydroxyphenyl)lactic acid
    相似度:70%
Phytochemistry          2013          91          165-176
Biosynthesis of tetraoxygenated phenylphenalenones in Wachendorfia thyrsiflora
Tobias Munde, Silke Brand, William Hidalgo, Ravi K. Maddula, Aleš Svatoš, Bernd Schneider
Structure      13C NMR   碳谱模拟图
2 .     (S)-2-[(4-hydroxybenzylidene)amino]-3-(4-hydroxyphen-yl)propionic acid methyl ester
    相似度:61.5%
Journal of Medicinal Chemistry          2002          45          2410-2416
Inhibition of MIF Bioactivity by Rational Design of Pharmacological Inhibitors of MIF Tautomerase Activity
Angeles Dios, Robert A. Mitchell, Bayan Aljabari, Jodi Lubetsky, KerryAnn O'Connor, Hong Liao, Peter D. Senter, Kirk R. Manogue, Elias Lolis, Christine Metz, Richard Bucala, David J. E. Callaway, and Yousef Al-Abed
Structure      13C NMR   碳谱模拟图
3 .     (S)-2-[(4-hydroxybenzylidene)amino]-3-phenylpropi-onic acid methyl ester
    相似度:60%
Journal of Medicinal Chemistry          2002          45          2410-2416
Inhibition of MIF Bioactivity by Rational Design of Pharmacological Inhibitors of MIF Tautomerase Activity
Angeles Dios, Robert A. Mitchell, Bayan Aljabari, Jodi Lubetsky, KerryAnn O'Connor, Hong Liao, Peter D. Senter, Kirk R. Manogue, Elias Lolis, Christine Metz, Richard Bucala, David J. E. Callaway, and Yousef Al-Abed
Structure      13C NMR   碳谱模拟图
4 .     JBIR-25
C22H24N2O10     相似度:54.5%
The Journal of Antibiotics          2009          62          703-704
JBIR-25, a novel antioxidative agent from Hyphomycetes sp. CR28109
Keiichiro Motohashi, Yasuhiro Gyobu, Motoki Takagi and Kazuo Shin-ya
Structure      13C NMR   碳谱模拟图
5 .     3,5-bis(4-hydroxyphenyl)-4-pentene-1,2-diol
C17H18O4     相似度:53.8%
Chinese Traditional and Herbal Drugs          2008          39          645-648
Chemical constituents of Taxodium ascendens
LI Zi-qiang; TAN Ning-hua; ZHANG Yu-mei; DUAN Jing
Structure      13C NMR   碳谱模拟图
6 .     2-[3-(3-iodo-4-hydroxyphenyl)-3-(4-hydroxyphenyl)]-propionitrile
C15H12O2NI     相似度:53.8%
Bioorganic & Medicinal Chemistry          2009          17          3479-3488
Synthesis and evaluation of aryl-substituted diarylpropionitriles, selective ligands for estrogen receptor β, as positron-emission tomographic imaging agents
Byung Seok Moon, Kathryn E. Carlson, John A. Katzenellenbogen, Tae Hyun Choi, Dae Yoon Chi, Jung Young Kim, Gi Jeong Cheon, Hun Yeong Koh, Kyo Chul Lee, Gwangil An
Structure      13C NMR   碳谱模拟图
7 .     podocarpiamide
C15H18N2O8     相似度:53.3%
Helvetica Chimica Acta          2013          96          309-312
A New Glycine Derivative and a New Indole Alkaloid from the Fermentation Broth of the Plant Endophytic Fungus Pestalotiopsis podocarpi Isolated from the Chinese Podocarpaceae Plant Podocarpus macrophyllus
Du-Qiang Luo, Yu-Peng Chen, Jun Zhang, Bao-Zhong Shi, Zi-Qi Yang and Chuan Chen
Structure      13C NMR   碳谱模拟图
8 .     leptanthin
C20H24N2O2     相似度:50%
Journal of Natural Products          2000          63          616-620
Infraspecific Variation of Sulfur-Containing Bisamides from Aglaia leptantha
H. Greger, T. Pacher, S. Vajrodaya, M. Bacher, and O. Hofer
Structure      13C NMR   碳谱模拟图
9 .     aglaiduline
C20H24N2O2     相似度:50%
Phytochemistry          1999          52          1085-1088
Bisamides from Aglaia edulis
Ekarin Saifah, Rutt Suttisri, Srisuda Shamsub, Thitima Pengsuparp, Vimolmas Lipipun
Structure      13C NMR   碳谱模拟图
10 .     1-(4-Hydroxyphenyl)-1-isopropylamino-1-propanone hydrochloride
C12H18ClNO2     相似度:50%
Archiv der Pharmazie          2011          11          333-339
The Design and Cytotoxic Evaluation of Some 1-Aryl-3-isopropylamino-1-propanone Hydrochlorides towards Human Huh-7 Hepatoma Cells
Ebru Mete, H. Inci Gul, Rengul Cetin-Atalay, Umashankar Das, Ertan Sahin, Mustafa Gul,Cavit Kazaz and Jonathan R. Dimmock
Structure      13C NMR   碳谱模拟图
11 .     (1R,2R,4S,5S)-2-tert-butoxycarbonylamino-4,5-dihydroxy-cyclohexane carboxylic acid methyl ester
C13H23O6N     相似度:50%
Tetrahedron Letters          2000          41          8747-8751
Diels–Alder approaches to ring-functionalized cyclic β-amino acids
Peter Wipf, Xiaodong Wang
Structure      13C NMR   碳谱模拟图
12 .     4-hydroxyphenylacetic acid
    相似度:50%
Chinese Traditional and Herbal Drugs          2010          41          846-851
Chemical constituents in seeds of Indian mangrove Xylocarpus granatum
YANG Xiao-bo; YANG Sheng-xin; LI Min-yi; PAN Jian-yu; ZHENG Yi-nan; WU Jun
Structure      13C NMR   碳谱模拟图
13 .     4-hydroxyphenylacetic acid
    相似度:50%
Chinese Traditional and Herbal Drugs          2009          40          186-189
Chemical constituents from edible part of Pistacia chinensis
LIU Jian-jun; LIU Xi-kui
Structure      13C NMR   碳谱模拟图
14 .     5-(4'-Hydroxyphenyl)-γ-valerolactone
    相似度:50%
Archives of Pharmacal Research          2007          30          674-677
Cytoprotective constituent of hoveniae lignum on both hep G2 cells and rat primary hepatocytes
Ren-Bo An, Eun-Jeon Park, Gil-Saeng Jeong, Dong-Hwan Sohn and Youn-Chul Kim
Structure      13C NMR   碳谱模拟图
我有一个梦想,我想当校长
2楼2013-06-18 20:20:22
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