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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 » 微谱求助
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limeng4544

金虫 (小有名气)

[求助] 微谱求助

我这有一个结构，应该是一个生物碱类的，求大家帮忙看一下：181.2(C),176.9(C),158.6(C),145.9(C),134.0(C),126.7(CH),112.2(CH),61.7(C),57.3(CH2),42.0(CH2),31.4(CH2),27.4(CH2)。这个结构看似简单，但是解不出来，麻烦帮忙解解
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1楼 2013-07-17 11:35:03
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wangkaibo123

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kerry

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【答案】应助回帖

感谢参与，应助指数 +1
数据反了  呵呵 调过来再查吧
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Domyallbesttohaveahappylife.
2楼2013-07-17 11:53:03
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limeng4544

金虫 (小有名气)
引用回帖:
2楼: Originally posted by wangkaibo123 at 2013-07-17 11:53:03
数据反了  呵呵 调过来再查吧

27.4(CH2),31.4(CH2),42.0(CH2),57.3(CH2),61.7(C),112.2(CH),126.7(CH),134.0(C),145.9(C),158.6(C),176.9(C),181.2(C)，整理好了，麻烦再帮忙看看啊
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3楼2013-07-17 12:47:04
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wangkaibo123

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kerry

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【答案】应助回帖

★ ★ ★ ★ ★
limeng4544(豆哥代发): 金币+5, 谢谢 2013-07-20 13:46:07
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30个化合物(查询结果仅供参考)
1 .     4-[formyl-5-(hydroxymethyl)-1H-pyrrol-1-yl] butanoic acid
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Chinese Traditional and Herbal Drugs          2013          44          265-268
Chemical constituents in fruits of Lycium barbarum
FENG Mei-ling, WANG Shu-fang, ZHANG Xing-xian
Structure      13C NMR   碳谱模拟图
2 .     4-(2-formyl-5-methoxymethylpyrrol-1-yl)butyric acid methyl ester
C12H17NO4     相似度:58.3%
Journal of Asian Natural Products Research          2003          5          159-163
PYRROLE ALKALOIDS FROM BOLBOSTEMMA PANICULATUM
WEN-YONG LIU, WEI-DONG ZHANG, HAI-SHENG CHEN, ZHENG-BING GU,TING-ZHAO LI and YUN-ZHOU
Structure      13C NMR   碳谱模拟图
3 .     4-((S)-hydroxy((R)-2-oxocyclohexyl)methyl)benzonitrile
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Tetrahedron          2013          69          1307-1315
Recoverable silica-gel supported binam-prolinamides as organocatalysts for the enantioselective solvent-free intra- and intermolecular aldol reaction
Abraham Bañón-Caballero, Gabriela Guillena, Carmen Nájera, Enrico Faggi, Rosa María Sebastián, Adelina Vallribera
Structure      13C NMR   碳谱模拟图
4 .     3-(1-methylpyrrolidin-3-yl)-1H-inden-5-amine
C14H19N2     相似度:53.8%
Bioorganic & Medicinal Chemistry          2009          17          7387-7397
Indene-based frameworks targeting the 5-HT6 serotonin receptor: Ring constraint in indenylsulfonamides using cyclic amines and structurally abbreviated counterparts
Ermitas Alcalde, Neus Mesquida, Sara López-Pérez, Jordi Frigola, Ramon Mercè, Jörg Holenz, Marta Pujol, Enrique Hernández
Structure      13C NMR   碳谱模拟图
5 .     compound 2a/2b
C12H18O2     相似度:50%
Journal of Natural Products          2008          71(10)          1726-1731
Glucosylated Suspensosides, Water-Soluble Pheromone Conjugates from the Oral Secretions of Male Anastrepha suspensa
Spencer S. Walse, Fang Lu, and Peter E. A. Teal
Structure      13C NMR   碳谱模拟图
6 .     2-methoxy-6-benzyl-1,4-benzoquinone
C14H12O3     相似度:50%
Journal of Natural Products          2001          64          2-5
Isolation, Synthesis, and Structure-Activity Relationships of Bioactive Benzoquinones from Miconia lepidota from the Suriname Rainforest1
A. A. Leslie Gunatilaka,John M. Berger, Randy Evans,James S. Miller, Jan H. Wisse,Kim M. Neddermann,Isia Bursuker, and David G. I. Kingston
Structure      13C NMR   碳谱模拟图
7 .     Ethyl 4-hydroxy-1-methyl-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylate
C14H15NO4     相似度:50%
Molecules          2009          14          250-256
Synthesis of 2, 3-Dioxo-5-(substituted)arylpyrroles and Their 2-Oxo-5-aryl-3-hydrazone Pyrrolidine Derivatives
M. F. Mohammat, Z. Shaameri and A. S. Hamzah
Structure      13C NMR   碳谱模拟图
8 .     N(4)-[R-(1-Methyl-4-isopropylcyclohexene]-thiosemicarbazide
    相似度:50%
Molecules          2009          14          1796-1807
Effects of a Thiosemicarbazide Camphene Derivative on Trichophyton mentagrophytes
Mirian Ueda Yamaguchi, Ana Paula Barbosa da Silva, Tania Ueda-Nakamura, Benedito Prado Dias Filho, Cleuza Conceição da Silva and Celso Vataru Nakamura
Structure      13C NMR   碳谱模拟图
9 .     N(4)-[2,2-Dimethyl-3-methylnorbornane]-thiosemicarbazide
    相似度:50%
Molecules          2009          14          1796-1807
Effects of a Thiosemicarbazide Camphene Derivative on Trichophyton mentagrophytes
Mirian Ueda Yamaguchi, Ana Paula Barbosa da Silva, Tania Ueda-Nakamura, Benedito Prado Dias Filho, Cleuza Conceição da Silva and Celso Vataru Nakamura
Structure      13C NMR   碳谱模拟图
10 .     methyl-(5-formyl-1H-pyrrole-2-yl)-4-hydroxybutyrate
C10H13NO4     相似度:50%
Fitoterapia          2002          73          22-27
A new pyrrole alkaloid from seeds of Castanea sati a
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Structure      13C NMR   碳谱模拟图
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C13H13ClN4O2     相似度:50%
Journal of Heterocyclic Chemistry          2002          39          173-177
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Structure      13C NMR   碳谱模拟图
12 .     1,15,18,32-tetraaza-39,40,41,42-tetramethoxy-5,11,22,28-tetrakis(tert-butyl)heptacyclo[30.2.2.2(15,18).1(3,7).1(9,13).1(20,24).1(26.30)]-dotetraconta-3(39),4,6,9(10),11,13(40),20(41),21,23,26(27),28,30(42)-dodecaene
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Journal of Heterocyclic Chemistry          2000          37          1479-1489
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Kazuaki Ito, Yoshihiro Ohba, Eita Shinagawa, Satoshi Nakayama, Shigemi Takahashi, Katsuhiko Honda, Hidekazu Nagafuji, Akane Suzuki and Tyo Sone
Structure      13C NMR   碳谱模拟图
13 .     dihydroferulic acid
    相似度:50%
Journal of Shenyang Pharmaceutical University          2006          23          84-87
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SUN Bo-hang, Yashikawa, CHEN Ying-jie, WU Li-jun
Structure      13C NMR   碳谱模拟图
14 .     (1R,5S,6S)-6-Benzyloxy-3-oxabicyclo[3.3.0]octan-3-one
    相似度:50%
Bioorganic & Medicinal Chemistry          1994          2          595-604
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Structure      13C NMR   碳谱模拟图
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Structure      13C NMR   碳谱模拟图
16 .     2,6-dimethyl-2,7-octadiene-1,6-diol
C10H18O2     相似度:50%
Acta Chemica Scandinavica          1978          32          228-229
Tobacco Chemistry. 43. Sensitized Photo-oxygenation of (12Z)-Abienol. Biomimetic Synthesis of Tobacco Labdanoids.
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Structure      13C NMR   碳谱模拟图
17 .     compound 13
    相似度:50%
Acta Chemica Scandinavica          1980          34          391-396
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Structure      13C NMR   碳谱模拟图
18 .     7-(2-bromo-ethylamino)-6-chloro-2-me-thyl-5,8-quinolinequinone
C12H10N2O2ClBr     相似度:50%
Bioorganic & Medicinal Chemistry          2010          18          3238-3251
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Benjamin J. Mulchin, Christopher G. Newton, James W. Baty, Carole H. Grasso, William John Martin, Michaela C. Walton, Emma M. Dangerfield, Catherine H. Plunkett, Michael V. Berridge, Jacquie L. Harper, Mattie S.M. Timmer, Bridget L. Stocker
Structure      13C NMR   碳谱模拟图
19 .     8-ethoxycarbonyl-3-hydroxymethylethylidenyl-8-azabicyclo[3.2.1]octane
C12H19NO3     相似度:50%
Bioorganic & Medicinal Chemistry          2011          19          7551-7558
Further structure–activity relationship studies on 8-substituted-3-[2-(diarylmethoxyethylidenyl)]-8-azabicyclo[3.2.1]octane derivatives at monoamine transporters
Shaine A. Cararas, Sari Izenwasser, Dean Wade, Amy Housman, Abha Verma, Stacey A. Lomenzo, Mark L. Trudell
Structure      13C NMR   碳谱模拟图
20 .     3-(2,2-dimethylpropyl)-5-methoxy-1-methyl-2-methylsulfanylpyrrole
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Russian Journal of Organic Chemistry          2006          42          607-609
Twoapproachestoone-potassemblyof1-alkyl-2-alkylsulfany1-5-methoxy-3-neopentylpyrroles
N. A. Nedolya and L. Brandsma
Structure      13C NMR   碳谱模拟图
21 .     phenopyrrozin
C13H13NO2     相似度:50%
The Journal of Antibiotics          1995          48          1413-1418
Phenopyrrozin, a New Radical Scavenger Produced by Penidllium sp. FO-2047
KAZURO SHIOMI, HONG YANG, Qi Xu, NORIKO ARAI, MIKIE NAMIKI, MASAHIKO HAYASHI, JUNJI INOKOSHI, HIDEO TAKESHIMA, ROKURO MASUMA, KANKI KOMIYAMA, SATOSHI OMURA
Structure      13C NMR   碳谱模拟图
22 .     compound 10b
C13H20N4O4     相似度:50%
European Journal of Medicinal Chemistry          2011          46          1935-1941
An expeditious access to 5-pyrimidinol derivatives from cyclic methylglyoxal diadducts, formation of argpyrimidines under physiological conditions and discovery of new CFTR inhibitors
Brice-Loïc Renard, Benjamin Boucherle, Bruno Maurin, Marie-Carmen Molina, Caroline Norez, Frédéric Becq, Jean-Luc Décout
Structure      13C NMR   碳谱模拟图
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Domyallbesttohaveahappylife.
4楼2013-07-17 13:01:02
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limeng4544

金虫 (小有名气)
引用回帖:
4楼: Originally posted by wangkaibo123 at 2013-07-17 13:01:02
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 ...

好的，谢谢
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5楼2013-07-17 13:39:10
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