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bin85666666

新虫 (小有名气)

[求助] 求助微谱数据查询

化合物碳谱如下:
18.7,24.4,29.6,29.6,40.3,44.3,69.8,69.8,108.4,109.7,121.8,125.6,148.7,152.5,167.1
3Q
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wangkaibo123

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【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与,应助指数 +1
bin85666666: 金币+20, 有帮助 2013-11-24 12:21:32
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36个化合物(查询结果仅供参考)
1 .     rupestrenol
C15H24O     相似度:60%
Phytochemistry          1999          52          1323-1329
Sesquiterpenoids, hopanoids and bis(bibenzyls) from the Argentine liverwort Plagiochasma rupestre
Alicia Bardona, Norma Kamiya, Masao Toyota, Shigeru Takaoka, Yoshinori Asakawa
Structure      13C NMR   碳谱模拟图
2 .     gyrosanol B
C20H32O     相似度:55%
Journal of Natural Products          2010          73          1184-1187
Antiviral and Anti-inflammatory Diterpenoids from the Soft Coral Sinularia gyrosa
Shi-Yie Cheng, Cheng-Ta Chuang, Shang-Kwei Wang, Zhi-Hong Wen, Shu-Fen Chiou, Chi-Hsin Hsu, Chang-Feng Dai and Chang-Yih Duh
Structure      13C NMR   碳谱模拟图
3 .     gyrosanol B
C20H32O     相似度:55%
Journal of Natural Products          2010          73          1184-1187
Antiviral and Anti-inflammatory Diterpenoids from the Soft Coral Sinularia gyrosa
Shi-Yie Cheng, Cheng-Ta Chuang, Shang-Kwei Wang, Zhi-Hong Wen, Shu-Fen Chiou, Chi-Hsin Hsu, Chang-Feng Dai and Chang-Yih Duh
Structure      13C NMR   碳谱模拟图
4 .     2-(4-Butyryl-2-fluorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
    相似度:53.3%
Molecules          2009          14          19-35
Synthesis and Evaluation of Non-peptidic Cysteine Protease Inhibitors of P. falciparum Derived from Etacrynic Acid
Marie-Adrienne Dude, Ulrich Kaeppler, Monika Herb, Markus Schiller, Franziska Schulz, Birgit Vedder, Saskia Heppner, Gabriele Pradel, Jiri Gut, Philip J. Rosenthal, Tanja Schirmeister, Matthias Leippe and Christoph Gelhaus
Structure      13C NMR   碳谱模拟图
5 .     cymobarbatol
C16H22Br2O2     相似度:53.3%
Journal of Natural Products          1989          Vol 52          1092
Plant Antimutagenic Agents 7. Structure and Antimutagenic Properties of Cymobarbatol and 4-Isocymbarbatol, New Cymopols from Green Alga (Cymopolia barbata)
Monroe E. Wall, Mansukh C. Wani, Govindarajan Manikumar, Harold Taylor, Thomas J. Hughes, Kevan Gaetano, William H. Gerwick, Andrew T. McPhail, Donald R. McPhail
Structure      13C NMR   碳谱模拟图
6 .     4-Methyl-12-hydroxy-4,11(13)-cadinadiene
C15H24O     相似度:53.3%
Phytochemistry          1993          32          987-989
Sesquiterpenoids in Nolana coelestis
Juan A. Garbarino, M.C. Chamy, M.P. Montagna, V. Gambaro
Structure      13C NMR   碳谱模拟图
7 .     compound 21
C15H20O3     相似度:53.3%
Phytochemistry          1991          30          899-904
Eremophilanes and furoeremophilanes from Euryops jacksonii and E. Algoensis
P. Gonser, J. Jakupovic, G.M. Mungai
Structure      13C NMR   碳谱模拟图
8 .     6α-Hydroxycyclonerolidol
C15H26O2     相似度:53.3%
Chemistry & Biodiversity          2012          9          727-738
Chemical Diversity of Essential Oils from Asteriscus graveolens (Forssk.)Less.:Identification of cis-8-Acetoxychrysanthenyl Acetate as a New Natural Component
Gregory Cristofari,Mohamed Znini,Lhou Majidi,Hamid Mazouz,Pierre Tomi,Jean Costa and Julien Paolini
Structure      13C NMR   碳谱模拟图
9 .     2α,5α-peroxyeudesma-3,11-dien-1-one
C15H2O3     相似度:53.3%
Phytochemistry          1990          29          2913-2917
Sesquiterpene lactones from Artemisia caerulescens Subsp. gargantae
Juan F. Sanzand,J.Alberto Marco
Structure      13C NMR   碳谱模拟图
10 .     2,6,8-trimethyl-2,5-dihydro-3H-pyrazolo[3,2-d]pyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine-3-one
C13H12N6O     相似度:53.3%
Journal of Heterocyclic Chemistry          2010          47          318-323
Synthesis of tetrahetrocyclic systems including pyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine fused with pyrazole derivatives and isolated with 1,3,4-oxa-, thiadiazole, and 1,2,4-tetrazole derivatives
Farag A. El-Essawy
Structure      13C NMR   碳谱模拟图
11 .     β-bisabolene
    相似度:53.3%
Phytochemistry          1983          22          1040-1042
Helianthol a, a sesquiterpene alcohol from Helianthus tuberosus
Mitsuo Miyazawa, Hiromu Kameoka
Structure      13C NMR   碳谱模拟图
12 .     12-hydroxy-4(5),11(13)-eudesmadien-15-al
    相似度:53.3%
Phytochemistry          2010          71          804-809
Sesquiterpenes and diterpenes from Ambrosia arborescens
Marinella De Leo, Mariela Beatriz Vera Saltos, Blanca Fabiola Naranjo Puente, Nunziatina De Tommasi, Alessandra Braca
Structure      13C NMR   碳谱模拟图
13 .     Kansuenin B
    相似度:53.3%
Archives of Pharmacal Research          2007          30          431-435
A new iridoid and other chemical constituents from pedicularis kansuensis forma albiflora Li.
Jun-Gang Yin, Cheng-Shan Yuan and Zhong-Jian Jia
Structure      13C NMR   碳谱模拟图
14 .     compound
    相似度:53.3%
Russian Journal of Organic Chemistry          2009          45          1353-1364
Synthesis of polyaza macrocycles by palladium-catalyzed amination of 1,2-dibromobenzene and 2-bromo-1,3-dichlorobenzene
A. D. Averin, A. V. Shukhaev, A. K. Buryak and I. P. Beletskaya
Structure      13C NMR   碳谱模拟图
15 .     diethyl 6,7-dimethoxy-1-methylisoquinoline-3,3(4H)-dicarboxylate
C18H23NO6     相似度:53.3%
European Journal of Organic Chemistry          2011                   2120-2127
Efficient Access to C1- and C3-Functionalized Isoquinolines: Towards Potential Lanthanide Ligands
Fabien Caillé, Frédéric Buron, éva Tóth and Franck Suzenet
Structure      13C NMR   碳谱模拟图
16 .     2-(1,1-dimethylethyl)-2-[2-(1H-1,2,4-triazol-1-yl)ethyl]-1,3-benzodioxole
C15H19N3O2     相似度:53.3%
European Journal of Organic Chemistry          2011                   1985-1992
Synthesis of all-syn Functionalized Triphenylene Ketals
Nader M. Boshta, Martin Bomkamp, Gregor Schnakenburg and Siegfried R. Waldvogel
Structure      13C NMR   碳谱模拟图
17 .     9-keto-5,8-dimethoxy-1,2,3,4-tetrahydro-1,4-ethanonaphthalene
    相似度:53.3%
Organic Magnetic Resonance          1983          21          675-677
The 13C NMR characterization of some 1,2,3,4-tetrahydro-1,4-ethanonaphthalenes
William B. Smith
Structure      13C NMR   碳谱模拟图
18 .     cadina-4,10(14)-dien-8-ol
    相似度:53.3%
European Journal of Organic Chemistry          1993          1993          1117-1123
Terpenes and Terpene Derivatives, XXXII. New Cadinene and Bisabolene Derivatives from the Essential Oil of Pulicaria gnaphalodes
Peter Weyerstahl, Hans-Christian Wahlburg, Helga Marschall and Abdolhossein Rustaiyan
Structure      13C NMR   碳谱模拟图
19 .     4-(1'',1''-Dimethylprop-2-enyl)-2-(3'-methylbut-2'-enyl)phenol
C16H22O     相似度:53.3%
Australian Journal of Chemistry          1979          32          2783-2786
A New Phenol from the Brown Alga Perithalia caudata Containing a 'Reverse' Isoprene Unit at the 4-Position
AJ Blackman, C Dragar and RJ Wells
Structure      13C NMR   碳谱模拟图
20 .     1β,3β,5β-trihydroxyl-7-isopropenylgermacren-4(15),10(14)-diene
C15H24O3     相似度:53.3%
Fitoterapia          2012          83          1675-1679
Three new germacrane-type sesquiterpene stereoisomers from the flowers of Chrysanthemum indicum
Jun-Song Wang, Jing Zhou, Ling-Yi Kong
Structure      13C NMR   碳谱模拟图
21 .     6-羟基-2-(2-羟基-2-苯乙基)色酮
C17H14O4     相似度:53.3%
Journal of Tropical and Subtropical Botany          2010          18          573-576
Study on the Chemical Constituents from Chinese Eaglewood in Hainan
MEI, Wen-li, LIU, Jun, LI, Xiao-na, DAI, Hao-fu
Structure      13C NMR   碳谱模拟图
22 .     Methyl 4 α-{[2β-[2-(p-Acetoxyphenyl)ethyl]-3,4-dihydro-4-oxo-2H-pyran-6-yl]methyl)-3α-ethyl-3,4-dihydro-2β-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyloxy)-2H-pyran-5-carboxylate
C39H46O17     相似度:53.3%
Helvetica Chimica Acta          1984          67          2111-2127
Studies on Monoterpene Glucosides and Related Natural Products Part 51. Absolute Structures of Hydrangenosides A, B, C, D, E, F, and G. Novel Type Secoiridoid Glucosides from Two Hydrangea Plants
Shinichi Uesato, Yoshio Takeda, Toshihiro Hashimoto, Kenichi Uobe, Hiroyuki Inouye, Heihachiro Taguchi and Toru Endo
Structure      13C NMR   碳谱模拟图
23 .     8-Bromo-7-(3-chloropropyl)-3-methyl-1-(prop-2-ynyl)-1H-purine-2,6(3H,7H)-dione
    相似度:53.3%
Bioorganic & Medicinal Chemistry          2013          21          7435-7452
1,3-Dialkyl-substituted tetrahydropyrimido[1,2-f]purine-2,4-diones as multiple target drugs for the potential treatment of neurodegenerative diseases
Pierre Koch, Rhalid Akkari, Andreas Brunschweiger, Thomas Borrmann, Miriam Schlenk, Petra Küppers, Meryem Köse, Hamid Radjainia, Jörg Hockemeyer, Anna Drabczyńska, Katarzyna Kieć-Kononowicz, Christa E. Müller
Structure      13C NMR   碳谱模拟图
24 .     3-((dimethylamino)methyl)-7-(3-methylbut-2-
Domyallbesttohaveahappylife.
2楼2013-11-24 11:55:12
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bin85666666

新虫 (小有名气)

引用回帖:
2楼: Originally posted by wangkaibo123 at 2013-11-24 11:55:12
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 ...

刚发现,你上面写的输入查询的数据和我提供的不一样啊,是不是弄错了?
3楼2013-12-13 11:24:54
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bin85666666

新虫 (小有名气)

引用回帖:
2楼: Originally posted by wangkaibo123 at 2013-11-24 11:55:12
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 ...

望回复
4楼2013-12-13 11:37:35
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wangkaibo123

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kerry

优秀版主

那个是模板  你的数据看不到 没有错啊
Domyallbesttohaveahappylife.
5楼2013-12-13 16:43:40
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bin85666666

新虫 (小有名气)

引用回帖:
5楼: Originally posted by wangkaibo123 at 2013-12-13 16:43:40
那个是模板  你的数据看不到 没有错啊

好的,谢谢
6楼2013-12-14 10:31:24
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suoshanshan

新虫 (初入文坛)

引用回帖:
2楼: Originally posted by wangkaibo123 at 2013-11-24 11:55:12
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 ...

能不能帮我分析一个碳谱的微谱数据?万分感谢!分离到一个化合物,碳谱数据为:
51.9,52.5,56.5,71.1,72.1,74.5,74.9,75.2,75.6,75.9,83.5,95.1,95.2,98.1,99.5,104.1,105.0,105.9,110.8,116.3,120.9,121.9,129.0,148.6,151.5,157.3,161.4,161.7,162.6,164.6,164.7,169.5,169.7,182.4,182.5
7楼2016-02-29 21:25:04
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