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1',2,3,3',4',6'-HEXA-O-ACETYL-4,6-O-(3-ETHOXYCARBONYL-BUTYLIDENE)-SUCROSE
SpectraBase Compound ID 2X87Olcid4i
InChI InChI=1S/C31H44O19/c1-9-39-23(38)10-11-30(8)42-13-21-24(49-30)26(44-18(5)35)27(45-19(6)36)29(47-21)50-31(14-41-16(3)33)28(46-20(7)37)25(43-17(4)34)22(48-31)12-40-15(2)32/h21-22,24-29H,9-14H2,1-8H3/t21-,22+,24-,25+,26+,27-,28-,29-,30?,31-/m1/s1
InChIKey KAYZBGWAEPPNTB-RNVCWOTESA-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 JIRaWOG3fM7
Name 1',2,3,3',4',6'-HEXA-O-ACETYL-4,6-O-(3-ETHOXYCARBONYL-BUTYLIDENE)-SUCROSE
Compound Number 12,STEREOISOMER-#1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H44O19
InChI InChI=1S/C31H44O19/c1-9-39-23(38)10-11-30(8)42-13-21-24(49-30)26(44-18(5)35)27(45-19(6)36)29(47-21)50-31(14-41-16(3)33)28(46-20(7)37)25(43-17(4)34)22(48-31)12-40-15(2)32/h21-22,24-29H,9-14H2,1-8H3/t21-,22+,24-,25+,26+,27-,28-,29-,30?,31-/m1/s1
InChIKey KAYZBGWAEPPNTB-RNVCWOTESA-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 UWSW955