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魔力鸟

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[求助] 微谱数据求助!

13C NMR (101 MHz, CDCl3) δ  :27.33,28.54,35.00,38.15,40.44,46.64,47.26,48.65,70.94,109.68,115.09,130.66,138.00,138.90,174.59.
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wangkaibo123

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kerry

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【答案】应助回帖

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感谢参与,应助指数 +1
魔力鸟: 金币+8 2013-07-22 21:26:18
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37个化合物(查询结果仅供参考)
1 .     conocenolide B
C15H22O3     相似度:60%
Journal of Natural Products          2007          70          1503-1506
Sesquiterpenes from Cultures of the Basidiomycete Conocybe siliginea
Dong-Ze Liu,Fei Wang, and Ji-Kai Liu
Structure      13C NMR   碳谱模拟图
2 .     11-Aldehyde-5,6-seco-1,6(13)-tremuladien-5,12-olide
C15H20O3     相似度:60%
Natural Products and Bioprospecting          2013          3          48-51
Five new 5,6-seco-tremulane sesquiterpenoids from the basidiomycete Conocybe siliginea
Xiao-Yan Yang, Tao Feng, Jian-Hai Ding, Xia Yin, Hua Guo, Zheng-Hui Li, Ji-Kai Liu
Structure      13C NMR   碳谱模拟图
3 .     rarisetenolide
C15H20O2     相似度:53.3%
Helvetica Chimica Acta          1996          Vol. 79          2180
Rarisetenolide, Epoxyrarisetenolide, and Epirarisetenolide, New-Skeleton Sesquiterpene Lactones as Taxonomic Markers and Defensive Agents of the Marine Ciliated Morphospecies Euplotes variseta
Graziano guella, Fernando Dini, and Francesco Pietra
Structure      13C NMR   碳谱模拟图
4 .     (-)-eudesma-1,4(15),11-triene
    相似度:53.3%
Phytochemistry          1998          48          657-660
(−-Eudesma-1,4(15),11-triene from the essential oil of Callitris intratropica
Adebola O. Oyedeji, Olusegun Ekundayo, Mesmin Mekem Sonwa, Christiane Fricke, Wilfried A. König
Structure      13C NMR   碳谱模拟图
5 .     dermatolactone
C15H20O3     相似度:53.3%
Phytochemistry          1996          43          375-376
Dermatolactone, a cytotoxic fungal sesquiterpene with a novel skeleton
Anke Mayer, Bärbel Köpke, Heidrun Anke, Olov Sterner
Structure      13C NMR   碳谱模拟图
6 .     eudesma-1,3,11(13)-trien-12-oic acid
C15H20O2     相似度:53.3%
Phytochemistry          1992          31          4109-4113
Epicuticular terpenoids and an aurone from flowers of Helianthus annuus
Ali A. Alfatafta, Christopher A. Mullin
Structure      13C NMR   碳谱模拟图
7 .     Divaricatine D
C15H19NO2     相似度:53.3%
Phytochemistry Letters          2012          5          224-227
Isolation and structure elucidation of aza-sesquiterpenoids of protoilludane origin formed by shaken cultures of the fungus Clavicorona divaricata
Gianluca Nasini,Alberto Arnone,Adriana Bava,Loana Musso
Structure      13C NMR   碳谱模拟图
8 .     5,7α-dihydroxy-13-normarasman-8-one
C14H20O2     相似度:53.3%
Phytochemistry          1988          27          187-191
Normarasmane sesquiterpenes from Lactarius vellereus
Wlodzimierz M. Daniewski,Wojciech Kroszczynski,Piotr Skibicki,Maria De Bernardi,Giovanni Fronza,Giovanni Vidari,Paola Vita-Finzi
Structure      13C NMR   碳谱模拟图
9 .     {3-[2-(dimethylaminomethyleneamino)pyridin-3-ylamino]propyl}methylcarbamic acid tert-butyl ester
C17H30N5O2     相似度:53.3%
Heterocycles          2004          63          1757-1763
A New Method for Regioselective Synthesis of a Broad-Spectrum Parenteral S-3578-Related Cephalosporin Bearing an Imidazo[4,5-b]pyridinium Derivative at C-3'
Hidenori Yoshizawa, Katsuki Yokoo, Takashi Nomura, Takafumi Ohara, Koji Ishikura,* and Yasuhiro Nishitani
Structure      13C NMR   碳谱模拟图
10 .     [1-(4-Benzyloxy-benzyl)-3-oxo-propyl]-carbamicacid tert-butyl ester
    相似度:53.3%
Bioorganic & Medicinal Chemistry          2008          16          2212-2225
α- and β-Substituted phosphonate analogs of LPA as autotaxin inhibitors
Peng Cui, William F. McCalmont, Jose L. Tomsig, Kevin R. Lynch, Timothy L. Macdonald
Structure      13C NMR   碳谱模拟图
11 .     (+)-p-Toluenesulfonamide
C16H23NO3S     相似度:53.3%
Tetrahedron Letters          2005          46          8299-8302
Chiral terpene auxiliaries. Part 1: Highly enantioselective reduction of ketones with borane catalyzed by an oxazaborolidine derived from (-)-β-pinene
Marek P. Krzemiński, Andrzej Wojtczak
Structure      13C NMR   碳谱模拟图
12 .     4β,14-dihydroxy-6α,7βH-1(10)-cadinene
C15H26O2     相似度:53.3%
The Journal of Antibiotics          2007          60          332-334
A New Cadinane Sesquiterpene with Significant Anti-HIV-1 Activity from the Cultures of the Basidiomycete Tyromyces chioneus FREE
Dong-Ze Liu, Fei Wang, Liu-Meng Yang, Yong-Tang Zheng and Ji-Kai Liu
Structure      13C NMR   碳谱模拟图
13 .     terrecyclic acid A
    相似度:53.3%
The Journal of Antibiotics          1984          37          1376-1381
STUDIES ON THE BIOSYNTHESIS OF TERRECYCHC ACID A, AN ANTITUMOR ANTIBIOTIC FROM ASPERGILLUS TERREUS
JOHN M. BEALE, Jr., ROBERT L. CHAPMAN, JOHN P. N. ROSAZZA
Structure      13C NMR   碳谱模拟图
Domyallbesttohaveahappylife.
2楼2013-07-22 20:35:07
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seven9870

新虫 (小有名气)

引用回帖:
2楼: Originally posted by wangkaibo123 at 2013-07-22 20:35:07
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 ...

如果出现了新的未知化合物,那会显示什么啊?
3楼2013-07-23 16:57:04
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wangkaibo123

荣誉版主 (职业作家)

kerry

优秀版主

相似度比较低啊 维普只能大概参考
Domyallbesttohaveahappylife.
4楼2013-07-23 17:50:20
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