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突突雯雯

金虫 (小有名气)

[求助] 20金币求微谱查询一组碳谱数据

14.0, 22.5, 24.6, 25.1, 25.7, 26.9, 27.3, 28.9, 29.0, 29.2, 31.9, 34.0, 37.0, 71.9, 80.8, 81.8, 108.5, 127.4, 137.8, 179.2
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nkx1979

木虫 (正式写手)

【答案】应助回帖

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突突雯雯: 金币+20 2013-04-16 18:27:04
1 .     [1S-[1α,2α(Z),3α(S*),4α]]-7-[3-[(2-Heptylthio)methyl]-7-oxabicyclo[2.2.1]hept-2-yl]-5-heptenoic Acid
C21H36O3S     相似度:71.4%
Journal of Medicinal Chemistry          1989          32          974-984
9,11-Epoxy-9-homo-14-thiaprost-5-enoic acid derivatives: potent thromboxane A2 antagonists
Steven E. Hall, Wen Ching Han, Don N. Harris, Anders Hedberg, Martin L. Ogletree
Structure      13C NMR   碳谱模拟图

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2 .     (4S,5S)-2,2-Dimethyl-4-formyl-5-[(E)-dodec-1-enyl]-1,3-dioxolane
C18H32O3     相似度:70%
Journal of the Chemical Society, Perkin Transactions 1          1997                   1013-1016
D-Erythronolactone as a C4 building unit. Part 2.1 A short and efficient synthesis of both enantiomers of epi-muricatacin, a diastereoisomer of the native acetogenin from Annona muricata
Andreas Gypser, Marcus Peterek and Hans-Dieter Scharf
Structure      13C NMR   碳谱模拟图

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3 .     (9Z,11E)-13-hydroxy-9,11-octadecadienoic acid
C18H32O3     相似度:70%
Bioscience, Biotechnology, and Biochemistry          2000          64          882-886
(10E,12Z,15Z)-9-Hydroxy-10,12,15-octadecatrienoic Acid Methyl Ester as an Anti-inflammatory Compound from Ehretia dicksonii
Mei DONG, Yukiko ODA, Mitsuru HIROTA
Structure      13C NMR   碳谱模拟图

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4 .     (2S,5S)-2-[1-(tert-butyldiphenylsilyl)oxymethyl]-5-[(1R)-(1-hydroxy)decyl]tetrahydrofuran
C32H50O3Si     相似度:70%
Heterocycles          2000          53          1361-1370
Stereoselective Synthesis of the 3-Hydroxytetrahydropyran Part of Mucocin, an Antitumor Agent, Based on Rearrangement-Ring Expansion Reaction of a Tetrahydrofuran Derivative
Shunya Takahashi, Kenji Fujisawa, Nobuo Sakairi, and Tadashi Nakata*
Structure      13C NMR   碳谱模拟图

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5 .     (9S,10E,12Z)-9-Hydroxy-10,12-octadecadienoic Acid
C18H32O3     相似度:70%
Journal of Agricultural and Food Chemistry          2008          56          5062-5068
Isolation and Identification of Antifungal Fatty Acids from the Basidiomycete Gomphus floccosus
Charles L. Cantrell, Bethany P. Case, E. Edward Mena, Toby M. Kniffin, Stephen O. Duke and David E. Wedge
Structure      13C NMR   碳谱模拟图

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6 .     [1S-(1α,2α(5Z),3α(1E,3S*),4α)]-7-[3-(3-Hyroxy-l-octenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-5-heptenoic Acid
C21H34O4     相似度:70%
Journal of Medicinal Chemistry          1985          28          1580-1590
Synthesis and in vitro pharmacology of 7-oxabicyclo[2.2.1]heptane analogs of thromboxane A2/PGH2
P. W. Sprague, J. E. Heikes, J. Z. Gougoutas, M. F. Malley, D. N. Harris, R. Greenberg
Structure      13C NMR   碳谱模拟图

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7 .     [1R-[1α,2β(Z),3β,4α]]-7-[3-[(Hexyloxy)methyl]-7-oxabicyclo[2.2.1]hept-2-yl]-5-heptenoic Acid
C20H34O4     相似度:70%
Journal of Medicinal Chemistry          1986          29          2335-2347
9,11-Epoxy-9-homo-14-oxaprosta-5-enoic acid derivatives. Novel inhibitors of fatty acid cyclooxygenase
Steven E. Hall, Wen Ching Han, Martin F. Haslanger, Don N. Harris, Martin L. Ogletree
Structure      13C NMR   碳谱模拟图

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8 .     9, 10-O-isopropyllidene-(12 Z)-en-octadecaoic acid
C21H38O4     相似度:66.6%
Acta Botanica Yunnanica          2007          29(5)          586-590
Chemical Investigation of Sulcaria virens (Alectoriaceae)
ZHOU Zhong-Yu, WANGLi-Song,WANG Fei, LIU Ji-Kai
Structure      13C NMR   碳谱模拟图

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9 .     (R)-1-((4R,5R)-5-(5-(benzyloxy)pentyl)-2,2-dimethyl-1,3-dioxolan-4-yl)non-3-yn-1-ol
C26H40O4     相似度:66.6%
Tetrahedron          2013          69          1881-1896
Metal-mediated alkynediol cycloisomerization: first and second generation formal total syntheses of didemniserinolipid B
Shyamsundar Das, Boddeti Induvadana, C.V. Ramana
Structure      13C NMR   碳谱模拟图

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10 .     (R)-1-((4R,5R)-5-(5-(benzyloxy)pentyl)-2,2-dimethyl-1,3-dioxolan-4-yl)non-3-yn-1-ol
C26H40O4     相似度:66.6%
Tetrahedron          2013          69          1881-1896
Metal-mediated alkynediol cycloisomerization: first and second generation formal total syntheses of didemniserinolipid B
Shyamsundar Das, Boddeti Induvadana, C.V. Ramana
Structure      13C NMR   碳谱模拟图
天道酬勤
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