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2,2',3,3',4',6'-HEXA-O-ACETYL-4,6-(3-ETHOXYCARBONYL-BUTYLIDENE)-ALPHA,ALPHA-TREHALOSE
SpectraBase Compound ID AwDfmS5eyBo
InChI InChI=1S/C31H44O19/c1-9-39-22(38)10-11-31(8)41-13-21-24(50-31)26(44-17(5)35)28(46-19(7)37)30(48-21)49-29-27(45-18(6)36)25(43-16(4)34)23(42-15(3)33)20(47-29)12-40-14(2)32/h20-21,23-30H,9-13H2,1-8H3/t20-,21-,23-,24-,25+,26+,27-,28-,29-,30-,31?/m1/s1
InChIKey GMPYVZCGXKQRTI-OLHNZISVSA-N
Mol Weight 720.7 g/mol
Molecular Formula C31H44O19
Exact Mass 720.247679 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FCVqdGYALv0
Name 2,2',3,3',4',6'-HEXY-O-ACETYL-4,6-O-(3-ETHOXYCARBONYL-BUTYLIDENE)-ALPHA,ALPHA-TREHALOSE
Compound Number 16,STERE OISOMER-#1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H44O19
InChI InChI=1S/C31H44O19/c1-9-39-22(38)10-11-31(8)41-13-21-24(50-31)26(44-17(5)35)28(46-19(7)37)30(48-21)49-29-27(45-18(6)36)25(43-16(4)34)23(42-15(3)33)20(47-29)12-40-14(2)32/h20-21,23-30H,9-13H2,1-8H3/t20-,21-,23-,24-,25+,26+,27-,28-,29-,30-,31?/m1/s1
InChIKey GMPYVZCGXKQRTI-OLHNZISVSA-N
Literature Reference Author S.CARBONNEL,C.FAYET,J.GELAS
Literature Reference Citation CARBOHYDR.RES.,319,63(1999)
Literature Reference DOI 10.1016/S0008-6215(99)00118-4
Molecular Weight 720.679 g/mol
Solvent CDCl3
Source File Reference UWSW959