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laiyin_111

木虫 (正式写手)

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[求助] 求微谱数据

倍半萜类化合物,碳谱数据如下:

15.1,17.6,20.7,38.4,39.7,40.9,41.0,41.9,43.9,69.2,109.9,120.8,147.7,170.7,199.4

多谢了!!!
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laiyin_111: 金币+15, ★★★★★最佳答案, 3Q~~ 2012-11-29 20:21:00
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Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

2 .     nootkatone
    相似度:73.3%
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3 .     Nootkatone
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4 .     oxyphyllol B
C15H22O2     相似度:66.6%
Journal of Natural Products          2002          65          1468-1474
Absolute Stereostructures of Three New Sesquiterpenes from the Fruit of Alpinia oxyphylla with Inhibitory Effects on Nitric Oxide Production and Degranulation in RBL-2H3 Cells1
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Structure      13C NMR   碳谱模拟图
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5 .     (+)-(4R,5S,7R)-11,12-Dihydroxynootkatone
    相似度:66.6%
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Microbial transformation of (+)-nootkatone and the antiproliferative activity of its metabolites
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6 .     rishitinone
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Structure of Rishitinone, a Valencane Stress Metabolite in Diseased Potato
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Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

7 .     oxyphyllol B
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Absolute Stereostructures of Three New Sesquiterpenes from the Fruit of Alpinia oxyphylla with Inhibitory Effects on Nitric Oxide Production and Degranulation in RBL-2H3 Cells1
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Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

8 .     compound 18
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--------------------------------------------------------------------------------

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Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

10 .     (+)-(4R,5S,7R)-13-Hydroxynootkatone
    相似度:60%
Bioorganic & Medicinal Chemistry          2011          19          2464-2469
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