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中原1虎

木虫 (正式写手)

科研界的黄金矿工

[求助] 求助微谱数据查询疑似单糖化合物

最近分离得到一个疑似单糖化合物,碳谱数据:99.56(CH), 83.08(CH), 82.98(CH), 77.09(CH), 65.18(CH2)。请帮忙微谱数据查询一下可能的结构。PS:可能为糖或纤维素的降解产物。请问什么单糖除了端基碳外,两个CH都在80以上?
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wq0616

铁杆木虫 (正式写手)

【答案】应助回帖


感谢参与,应助指数 +1
PSA: 金币+1, thx 2012-12-26 09:50:45
1 .     arabinose tetraacetate
    相似度:60%
Chemical & Pharmaceutical Bulletin          1982          30          4025-4030
Studies on the Structure of Polysaccharides from the Bark of Melia azadirachta
TADAMI FUJIWARA,TADAHIRO TAKEDA,YUKIO OGIHARA,MASAKI SHIMIZU,TAKEO NOMURA and YUTAKA TOMITA
Structure      13C NMR   碳谱模拟图

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




2 .     methyl glycofuranoside β-D-Ara
    相似度:60%
Phytochemistry          1992          31          3307-3330
NMR Spectroscopy in the structural elucidation of oligosaccharides and glycosides
Pawan K. Agrawal
Structure      13C NMR   碳谱模拟图

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




3 .     β-D-fructofuranose
    相似度:50%
Natural Product Research          2009          23          1013-1020
Fructose-derived carbohydrates from Alisma orientalis
Zhen Zhang; Dong Wang; Yun Zhao; Hong Gao; Ying-He Hu; Jin-Feng Hu
Structure      13C NMR   碳谱模拟图

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




4 .     Compound 2α
    相似度:50%
Bioorganic & Medicinal Chemistry Letters          2002          12          3515-3518
A novel synthesis of D-galactofuranosyl, D-glucofuranosyl and D-mannofuranosyl 1-phosphates based on remote activation of new and free hexofuranosyl donors
Vincent Ferrières, Sophie Blanchard, Delphine Fischer, Daniel Plusquellec
Structure      13C NMR   碳谱模拟图

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




5 .     compound 2
    相似度:50%
Tetrahedron Letters          2005          46          3249-3252
Synthesis of C-disaccharide analogues of the α-d-arabinofuranosyl-(1→5)-α-d-arabinofuranosyl motif of mycobacterial cell walls via alkynyl intermediates
Tashfeen Aslam, Michael G.G. Fuchs, Adeline Le Formal, Richard H. Wightman
Structure      13C NMR   碳谱模拟图

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




6 .     Methyl 2,5-anhydro-D-glycero-D-gulo-heptonate
C8H14O7     相似度:50%
Journal of the Chemical Society, Perkin Transactions 1          1996                   2151-2156
Complex tetrahydrofurans from carbohydrate lactones: easy access to epimeric C-glycosides of glucofuranose from D-glycero-D-gulo-heptono-1,4-lactone
Claire J. F. Bichard, Tilmann W. Brandstetter, Juan C. Estevez, George W. J. Fleet, David J. Hughes and Joseph R. Wheatley
Structure      13C NMR   碳谱模拟图

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




7 .     6-deoxy-6-fluoro-α-D-fructose
C6H11FO5     相似度:50%
Bioorganic & Medicinal Chemistry          2009          17          5488-5495
Synthesis and characterization of 6-deoxy-6-fluoro-d-fructose as a potential compound for imaging breast cancer with PET
Brendan J. Trayner, Tina N. Grant, Frederick G. West, Chris I. Cheeseman
Structure      13C NMR   碳谱模拟图

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




8 .     (2S,3R,4R,5R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
C6H13NO3     相似度:50%
European Journal of Organic Chemistry          2011                   6980-6988
Diversity-Oriented Synthesis of Useful Chiral Building Blocks from D-Mannitol
Appu Aravind, Ponminor Senthil Kumar, Muthukumar Gomathi Sankar and Sundarababu Baskaran
Structure      13C NMR   碳谱模拟图
艰难困苦,玉汝于成。
3楼2012-12-26 09:49:11
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行板如歌

金虫 (小有名气)

【答案】应助回帖


感谢参与,应助指数 +1
PSA: 金币+1, 赞 2012-12-26 09:50:32
1 .     arabinose tetraacetate
    相似度:60%
Chemical & Pharmaceutical Bulletin          1982          30          4025-4030
Studies on the Structure of Polysaccharides from the Bark of Melia azadirachta
TADAMI FUJIWARA,TADAHIRO TAKEDA,YUKIO OGIHARA,MASAKI SHIMIZU,TAKEO NOMURA and YUTAKA TOMITA
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

2 .     methyl glycofuranoside β-D-Ara
    相似度:60%
Phytochemistry          1992          31          3307-3330
NMR Spectroscopy in the structural elucidation of oligosaccharides and glycosides
Pawan K. Agrawal
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

3 .     β-D-fructofuranose
    相似度:50%
Natural Product Research          2009          23          1013-1020
Fructose-derived carbohydrates from Alisma orientalis
Zhen Zhang; Dong Wang; Yun Zhao; Hong Gao; Ying-He Hu; Jin-Feng Hu
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

4 .     Compound 2α
    相似度:50%
Bioorganic & Medicinal Chemistry Letters          2002          12          3515-3518
A novel synthesis of D-galactofuranosyl, D-glucofuranosyl and D-mannofuranosyl 1-phosphates based on remote activation of new and free hexofuranosyl donors
Vincent Ferrières, Sophie Blanchard, Delphine Fischer, Daniel Plusquellec
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

5 .     compound 2
    相似度:50%
Tetrahedron Letters          2005          46          3249-3252
Synthesis of C-disaccharide analogues of the α-d-arabinofuranosyl-(1→5)-α-d-arabinofuranosyl motif of mycobacterial cell walls via alkynyl intermediates
Tashfeen Aslam, Michael G.G. Fuchs, Adeline Le Formal, Richard H. Wightman
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

6 .     Methyl 2,5-anhydro-D-glycero-D-gulo-heptonate
C8H14O7     相似度:50%
Journal of the Chemical Society, Perkin Transactions 1          1996                   2151-2156
Complex tetrahydrofurans from carbohydrate lactones: easy access to epimeric C-glycosides of glucofuranose from D-glycero-D-gulo-heptono-1,4-lactone
Claire J. F. Bichard, Tilmann W. Brandstetter, Juan C. Estevez, George W. J. Fleet, David J. Hughes and Joseph R. Wheatley
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

7 .     6-deoxy-6-fluoro-α-D-fructose
C6H11FO5     相似度:50%
Bioorganic & Medicinal Chemistry          2009          17          5488-5495
Synthesis and characterization of 6-deoxy-6-fluoro-d-fructose as a potential compound for imaging breast cancer with PET
Brendan J. Trayner, Tina N. Grant, Frederick G. West, Chris I. Cheeseman
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

8 .     (2S,3R,4R,5R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
C6H13NO3     相似度:50%
European Journal of Organic Chemistry          2011                   6980-6988
Diversity-Oriented Synthesis of Useful Chiral Building Blocks from D-Mannitol
Appu Aravind, Ponminor Senthil Kumar, Muthukumar Gomathi Sankar and Sundarababu Baskaran
2楼2012-12-26 09:48:29
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