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4,5,6,7,8,9-HEXA-O-ACETYL-3-DEOXY-D-GLYCERO-D-GALACTO-2-NONULOSE-DIETHYL-DITHIOKETAL
SpectraBase Compound ID 2FnOEE3F5Ts
InChI InChI=1S/C25H40O13S2/c1-9-39-25(13-26,40-10-2)11-20(34-15(4)28)22(36-17(6)30)24(38-19(8)32)23(37-18(7)31)21(35-16(5)29)12-33-14(3)27/h20-24,26H,9-13H2,1-8H3/t20-,21+,22+,23+,24+/m0/s1
InChIKey QWBLSZKIAYHHML-ODTAKUCXSA-N
Mol Weight 612.7 g/mol
Molecular Formula C25H40O13S2
Exact Mass 612.191034 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bp6Q9aVsGap
Name 4,5,6,7,8,9-HEXA-O-ACETYL-3-DEOXY-D-GLYCERO-D-GALACTO-2-NONULOSE-DIETHYL-DITHIOKETAL
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H40O13S2
InChI InChI=1S/C25H40O13S2/c1-9-39-25(13-26,40-10-2)11-20(34-15(4)28)22(36-17(6)30)24(38-19(8)32)23(37-18(7)31)21(35-16(5)29)12-33-14(3)27/h20-24,26H,9-13H2,1-8H3/t20-,21+,22+,23+,24+/m0/s1
InChIKey QWBLSZKIAYHHML-ODTAKUCXSA-N
Literature Reference Author C.SCHMOELZER,M.FISCHER,W.SCHMID
Literature Reference Citation EUR.J.ORG.CHEM.,2010,4886(2010)
Literature Reference DOI 10.1002/ejoc.201000623
Molecular Weight 612.705 g/mol
Solvent CDCl3
Source File Reference UWLU85939