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杨大松

至尊木虫 (文坛精英)

[求助] 求助微谱数据,谢谢

碳谱数据如下:
14.8,16.8,20.8,31.6,32.9,39.3,40.3,40.4,42.0,43.9,109.2,124.6,149.0,170.6,199.7
辛苦各位了,非常感谢
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碧雪清谭
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杨大松

至尊木虫 (文坛精英)

觉得是Mexicanane or carotane类型的倍半萜衍生物,但是未见核磁数据非常相似的报道。送了个QC,BC,COSY二维看看。
碧雪清谭
2楼2012-10-30 15:58:17
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lifeliuyan

至尊木虫 (职业作家)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与,应助指数 +1
杨大松: 金币+20, ★★★★★最佳答案 2012-10-30 16:37:00
查询结果:共查到125个化合物(查询结果仅供参考)  
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1 .     (+)-nootkatone
    相似度:100%
Bioorganic & Medicinal Chemistry          2011          19          2464-2469
Microbial transformation of (+)-nootkatone and the antiproliferative activity of its metabolites
Anna Gliszczyńska, Agnieszka Łysek, Tomasz Janeczko, Marta Świtalska,Joanna Wietrzyk, Czesław Wawrzeńczyk
Structure      13C NMR   碳谱模拟图

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2 .     nootkatone
    相似度:100%
Phytochemistry          1987          26          571-572
A valencane sesquiterpenoid from Teucrium carolipaui
Giuseppe Savona,Franco Piozzi,María C. De La Torre,Orietta Servettaz,Benjamín Rodríguez
Structure      13C NMR   碳谱模拟图

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3 .     Nootkatone
    相似度:100%
Journal of Agricultural and Food Chemistry          2000          48          3639-3641
Insecticidal Sesquiterpene from Alpinia oxyphylla against Drosophila melanogaster
Mitsuo Miyazawa, Yuji Nakamura, and Yukio Ishikawa
Structure      13C NMR   碳谱模拟图

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4 .     (+)-(4R,5S,7R)-13-Hydroxynootkatone
    相似度:80%
Bioorganic & Medicinal Chemistry          2011          19          2464-2469
Microbial transformation of (+)-nootkatone and the antiproliferative activity of its metabolites
Anna Gliszczyńska, Agnieszka Łysek, Tomasz Janeczko, Marta Świtalska,Joanna Wietrzyk, Czesław Wawrzeńczyk
Structure      13C NMR   碳谱模拟图

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5 .     (+)-(4R,5S,7R)-11,12-Dihydroxynootkatone
    相似度:73.3%
Bioorganic & Medicinal Chemistry          2011          19          2464-2469
Microbial transformation of (+)-nootkatone and the antiproliferative activity of its metabolites
Anna Gliszczyńska, Agnieszka Łysek, Tomasz Janeczko, Marta Świtalska,Joanna Wietrzyk, Czesław Wawrzeńczyk
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




6 .     11-hydroxy-valenc-1(10)-en-2-one
C15H24O2     相似度:73.3%
Phytochemistry          1987          26          571-572
A valencane sesquiterpenoid from Teucrium carolipaui
Giuseppe Savona,Franco Piozzi,María C. De La Torre,Orietta Servettaz,Benjamín Rodríguez
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




7 .     (+)-(4R,5S,7R)-7,11,12-Trihydroxynootkatone
C15H24O4     相似度:66.6%
Bioorganic & Medicinal Chemistry          2011          19          2464-2469
Microbial transformation of (+)-nootkatone and the antiproliferative activity of its metabolites
Anna Gliszczyńska, Agnieszka Łysek, Tomasz Janeczko, Marta Świtalska,Joanna Wietrzyk, Czesław Wawrzeńczyk
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




8 .     compound 3
    相似度:66.6%
Chemical Communications          1977                   27-28
Vetispirane sesquiterpene glucosides from flue-cured virginia tobacco: structure, absolute stereochemistry, and synthesis. X-Ray structure of the p-bromobenzenesulphonate of one of the derived aglycones
Robert C. Anderson, Donald M. Gunn, Judith Murray-Rust, Peter Murray-Rust and James S. Roberts
Structure      13C NMR   碳谱模拟图

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9 .     nootkatol
C15H24O     相似度:66.6%
Journal of Pharmaceutical Sciences          1984          73          843-844
Structural determination of nootkatol, a new sesquiterpene isolated from Alpinia oxyphylla miquel possessing calcium-antagonistic activity
N. Shoji, A. Umeyama, Y. Asakawa, T. Takemoto, K. Nomoto and Y. Ohizumi
Structure      13C NMR   碳谱模拟图

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10 .     swartzianin A
C15H24     相似度:66.6%
Tetrahedron          1996          52          6339-6354
Novel sesquiterpenoids from the Colombian liverwort Porella swartziana
Motoo Tori, Katsuyuki Nakashima, Tomoko Takeda, Yukiko Kan, Shigeru Takaoka, Yoshinori Asakawa
Structure      13C NMR   碳谱模拟图

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11 .     13-hydroxy-3,11-(7αH,10βH)-acordien-3-one
C15H22O2     相似度:66.6%
Journal of Chemical Research          2007          31          38-39
A new sesquiterpene from the seeds of Physalis alkekengi L. var. franchi
Zhan, Zha-Jun; Li, Cheng-Ping; Shan, Wei-Guang
Structure      13C NMR   碳谱模拟图

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12 .     muurola-4,10(14)-dien-3-one
C15H22O     相似度:60%
Journal of Natural Products          2002          65          25-28
Five New Cadinane-Type Sesquiterpenes from the Heartwood of Chamaecyparis obtusa var. formosana
Yueh-Hsiung Kuo, Chia-Hsien Chen,Shih-Chang Chien, and Yun-Lian Lin
Structure      13C NMR   碳谱模拟图
3楼2012-10-30 16:20:30
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