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3-O-ACETYL-ALPHA-D-GALACTURONOPYRANOSYL-(1->4)-ALPHA-D-GALACTURONOPYRANOSYL-(1->4)-3-O-ACETYL-BETA-D-GALACTURONOPYRANOSIDE
SpectraBase Compound ID 8FfObE7pCcX
InChI InChI=1S/C22H30O21/c1-3(23)37-10-7(27)13(17(30)31)41-22(9(10)29)40-11-5(25)6(26)21(43-15(11)18(32)33)42-14-12(38-4(2)24)8(28)20(36)39-16(14)19(34)35/h5-16,20-22,25-29,36H,1-2H3,(H,30,31)(H,32,33)(H,34,35)/t5-,6-,7+,8-,9+,10-,11-,12-,13-,14-,15+,16+,20-,21+,22-/m0/s1
InChIKey ISUDZMMHWKVFHY-BXUMUZJPSA-N
Mol Weight 630.46 g/mol
Molecular Formula C22H30O21
Exact Mass 630.127958 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 51M1WZenGjF
Name 3-O-ACETYL-ALPHA-D-GALACTURONOPYRANOSYL-(1->4)-ALPHA-D-GALACTURONOPYRANOSYL-(1->4)-3-O-ACETYL-BETA-D-GALACTURONOPYRANOSIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30O21
InChI InChI=1S/C22H30O21/c1-3(23)37-10-7(27)13(17(30)31)41-22(9(10)29)40-11-5(25)6(26)21(43-15(11)18(32)33)42-14-12(38-4(2)24)8(28)20(36)39-16(14)19(34)35/h5-16,20-22,25-29,36H,1-2H3,(H,30,31)(H,32,33)(H,34,35)/t5-,6-,7+,8-,9+,10-,11-,12-,13-,14-,15+,16+,20-,21+,22-/m0/s1
InChIKey ISUDZMMHWKVFHY-BXUMUZJPSA-N
Literature Reference Author P.PERRONE,C.M.HEWAGE,A.R.THOMSON,K.BAILEY,I.H.SADLER,S.C.FRY
Literature Reference Citation PHYTOCHEM.,60,67(2002)
Literature Reference DOI 10.1016/S0031-9422(02)00039-0
Molecular Weight 630.468 g/mol
Solvent D2O
Source File Reference UWMS1567