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zyl812

铁杆木虫 (职业作家)

[求助] 求一化合物微谱数据,谢帮忙!

溶剂:氘带氯仿;碳谱数据:13.1,15.4,18.1,23.9,24.9,27.2,27.8,28.3,33.1,42.5,44.9,62.2,71.2,121.3,129.9,132.3,143.2,174.5,178.2.
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wangkaibo123

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【答案】应助回帖

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感谢参与,应助指数 +1
zyl812: 金币+10, 有帮助 2013-07-12 19:53:34
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142个化合物(查询结果仅供参考)
1 .     eiseniachloride C
C20H29ClO3     相似度:57.8%
Journal of Natural Products          2003          66          1318-1323
Novel Oxylipin Metabolites from the Brown Alga Eisenia bicyclis
Kenji Kousaka, Nobuyuki Ogi, Yasutomo Akazawa,Makiko Fujieda, Yuzo Yamamoto, Yuuki Takada, and Junji Kimura
Structure      13C NMR   碳谱模拟图
2 .     (2E,4E,8Z,11E)-2'-hydroxy-N-isobutyl-2,4,8,11-tetradecatetraenamide
C18H29NO2     相似度:57.8%
Chemical & Pharmaceutical Bulletin          1988          36          2362-2365
Amides from Huajiao, Pericarps of Zanthoxylum bungeanum MAXIM.
KENJI MIZUTANI,YUICHIRO FUKUNAGA,OSAMU TANAKA,NAOYUKI TAKASUGI,YUH-ICHIROU SARUWATARI,TOHRU FUWA,TATSUO YAMAUCHI,JIAN WANG,MING-RU JIA,FANG-YAO LI and YI-KUI LING
Structure      13C NMR   碳谱模拟图
3 .     isobungeanool
    相似度:57.8%
Phytochemistry          1997          46          1123-1126
Alkylamides from pericarps of Zanthoxylum bungeanum
Quanbo Xiong, Dawen Shi, Hirofumi Yamamoto, Mizuo Mizuno
Structure      13C NMR   碳谱模拟图
4 .     Bis[(3β-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2β-yl)]methyl octanedioate
C38H48Cl4N2O4     相似度:57.8%
Bioorganic & Medicinal Chemistry          2008          16          1832-1841
The synthesis of bivalent 2β-carbomethoxy-3β-(3,4-dichlorophenyl)-8-heterobicyclo[3.2.1]octanes as probes for proximal binding sites on the dopamine and serotonin transporters
Peter C. Meltzer, Olga Kryatova, Duy-Phong Pham-Huu, Patrick Donovan, Aaron Janowsky
Structure      13C NMR   碳谱模拟图
5 .     2,5,5-trimethyl-4-(4'-methyl-3'-pentenyl)-2-cyclohexen-1-ol
C15H26O     相似度:57.8%
Food Chemistry          2010          122          31-41
Sesquiterpenoids with free-radical-scavenging properties from marine macroalga Ulva fasciata Delile
Kajal Chakraborty, R. Paulraj
Structure      13C NMR   碳谱模拟图
6 .     acalycixeniolide F
C20H30O3     相似度:55%
Journal of Natural Products          2000          63          254-257
New Xenicane Diterpenoids from the Gorgonian Acalycigorgia inermis
Jung-Rae Rho, Hyi-Seung Lee, Youngwan Seo, Ki Woong Cho, and Jongheon Shin
Structure      13C NMR   碳谱模拟图
7 .     compound 11
    相似度:55%
Chemistry of Natural Compounds          1988          24          241-246
1H and 13C NMR SPECTRA OF BIOLOGICALLY ACTIVE COMPOUNDS.III. DIASTEREOMERS OF (±)-7-THIA- AND 13-THIA-16-ARYLOXY ANALOGS OF II-DEOXYPROSTAGLANDINS OF THE E l SERIES
L. M. Khalluov, A. A. Panasenko E. V. Vasil'eva, N. A. Danilova,Ya. L. Vel'der, and G. A. Tolstikov
Structure      13C NMR   碳谱模拟图
8 .     Phosphatidyl-nerol
    相似度:55%
Bioorganic & Medicinal Chemistry Letters          2008          18          4044-4046
Synthesis of phosphatidylated-monoterpene alcohols catalyzed by phospholipase D and their antiproliferative effects on human cancer cells
Yukihiro Yamamoto, Masashi Hosokawa, Hideyuki Kurihara, Takashi Maoka, Kazuo Miyashita
Structure      13C NMR   碳谱模拟图
9 .     Bis[(3β-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2β-yl)]methyl dodecanedioate
C42H56N2O4Cl4     相似度:55%
Bioorganic & Medicinal Chemistry          2008          16          1832-1841
The synthesis of bivalent 2β-carbomethoxy-3β-(3,4-dichlorophenyl)-8-heterobicyclo[3.2.1]octanes as probes for proximal binding sites on the dopamine and serotonin transporters
Peter C. Meltzer, Olga Kryatova, Duy-Phong Pham-Huu, Patrick Donovan, Aaron Janowsky
Structure      13C NMR   碳谱模拟图
10 .     crotonitenone
C20H32O3     相似度:55%
Journal of the Chemical Society, Perkin Transactions 1          1981                   2666-2669
The structure of crotonitenone, a novel casbane diterpene from Croton nitens Sw. (Euphorbiaceae)
Basil A. Burke, Wilfred R. Chan, Keith O. Pascoe, John F. Blount and Percy S. Manchand
Structure      13C NMR   碳谱模拟图
11 .     (S)-Ethyl 4-[(1R,2S,3R,6S)-2-Hydroxy-3-(2-hydroxypropan-2-yl)-6-methylcyclohexyl]-3-nitro-4-phenyl-but-2(Z)-enoate
C22H31NO6     相似度:55%
European Journal of Organic Chemistry          2012                   353-365
Kinetic Resolution of Activated Nitroallylic Acetates with Aldehydes and Ketones through a Conjugate Addition–Elimination SN2′ Process
Raju Jannapu Reddy, Pei-Hsun Lee, Dhananjay R. Magar, Jung-Hsuan Chen and Kwunmin Chen
Structure      13C NMR   碳谱模拟图
12 .     pseudopterosin G
    相似度:55%
Tetrahedron          1993          49          811-822
Helioporins: bioactive diterpenes from the blue coral Heliopora coerulea
Jun-ichi Tanaka, Noboru Ogawa, Jian Liang, Tatsuo Higa, Dolores Garcia Gravalos
Structure      13C NMR   碳谱模拟图
13 .     1-[(11S)-3β-hydroxyeudesma-4,6-dien-12-oyl]-piperidine
C20H31NO2     相似度:55%
Tetrahedron          1996          52          10507-10518
Ring-opening aminolysis of sesquiterpene lactones: An easy entry to bioactive sesquiterpene derivatives. Synthesis of (+)-β-cyperone and (−-eudesma-3,5-diene from santonin
Gonzalo Blay, Luz Cardona, Begoña García, Cristina L. García, JoséR. Pedro
Structure      13C NMR   碳谱模拟图
14 .     (2E,4E,7S,8E,10E,12E,14S)-7,9,13,17-tetramethyl-7,14-dihydroxy-2,4,8,10,12,16-octadecahexaenoicacid
C22H32O4     相似度:54.5%
Phytochemistry          2002          60          639-646
Glycosides of polyenoic branched fatty acids from myxomycetes
Tomáš Řezanka
Structure      13C NMR   碳谱模拟图
15 .     2-methoxy-17-β-propylestra-1,3,5(10)-triene-3-ol
C22H32O2     相似度:54.5%
Bioorganic & Medicinal Chemistry          2009          17          7344-7352
Synthesis of 2- and 17-substituted estrone analogs and their antiproliferative structure–activity relationships compared to 2-methoxyestradiol
Jamshed H. Shah, Gregory E. Agoston, Lita Suwandi, Kimberly Hunsucker, Victor Pribluda, Xiaoguo H. Zhan, Glenn M. Swartz, Theresa M. LaVallee, Anthony M. Treston
Structure      13C NMR   碳谱模拟图
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2楼2013-07-12 18:45:30
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