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#3;METHYL-2,4,6-TRI-O-ACETYL-3-O-[METHYL-4,7,8,9-TETRA-O-ACETYL-5-(N-ACETYLACETYLAMIDO)-3,5-DIDEOXY-D-GYCERO-ALPHA-D-GALACTO-NON-2-ULOPYRANOSYLONATE]-1-THIO-BE
SpectraBase Compound ID KLo1BuoQ5TN
InChI InChI=1S/C35H49NO21S/c1-15(37)36(16(2)38)27-24(50-19(5)41)12-35(34(46)47-10,56-30(27)28(52-21(7)43)25(51-20(6)42)13-48-17(3)39)57-31-29(53-22(8)44)26(14-49-18(4)40)55-33(58-11)32(31)54-23(9)45/h24-33H,12-14H2,1-11H3/t24-,25-,26+,27+,28+,29-,30+,31-,32+,33-,35-/m0/s1
InChIKey JMAPNCYKEWCLJY-WJGBQCGUSA-N
Mol Weight 851.8 g/mol
Molecular Formula C35H49NO21S
Exact Mass 851.251779 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A05MAbD6tNb
Name #3;METHYL-2,4,6-TRI-O-ACETYL-3-O-[METHYL-4,7,8,9-TETRA-O-ACETYL-5-(N-ACETYLACETYLAMIDO)-3,5-DIDEOXY-D-GYCERO-ALPHA-D-GALACTO-NON-2-ULOPYRANOSYLONATE]-1-THIO-BE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H49NO21S
InChI InChI=1S/C35H49NO21S/c1-15(37)36(16(2)38)27-24(50-19(5)41)12-35(34(46)47-10,56-30(27)28(52-21(7)43)25(51-20(6)42)13-48-17(3)39)57-31-29(53-22(8)44)26(14-49-18(4)40)55-33(58-11)32(31)54-23(9)45/h24-33H,12-14H2,1-11H3/t24-,25-,26+,27+,28+,29-,30+,31-,32+,33-,35-/m0/s1
InChIKey JMAPNCYKEWCLJY-WJGBQCGUSA-N
Literature Reference Author A.V.DEMCHENKO,G.J.BOONS
Literature Reference Citation J.ORG.CHEM.,66,2547(2001)
Literature Reference DOI 10.1021/jo001477w
Molecular Weight 851.828 g/mol
Solvent Unknown
Source File Reference UWLU26581