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1,3,6-Tri-O-acetyl-2-O-trichloroacetyl-4-O-(2,3,4,6-tetra-O-acetyl-a-d-glucopyranosyl)-b-d-glucopyranose

View entire compound with spectra: 2 NMR

1,3,6-Tri-O-acetyl-2-O-trichloroacetyl-4-O-(2,3,4,6-tetra-O-acetyl-a-d-glucopyranosyl)-b-d-glucopyranose
SpectraBase Compound ID 5UZLZODRC5x
InChI InChI=1S/C28H35Cl3O19/c1-10(32)40-8-17-19(42-12(3)34)21(43-13(4)35)23(45-15(6)37)26(48-17)49-20-18(9-41-11(2)33)47-25(46-16(7)38)24(22(20)44-14(5)36)50-27(39)28(29,30)31/h17-26H,8-9H2,1-7H3/t17-,18-,19+,20+,21-,22-,23-,24-,25+,26+/m0/s1
InChIKey YCJAAWXBVKIQLN-OTUHZUGYSA-N
Mol Weight 781.9 g/mol
Molecular Formula C28H35Cl3O19
Exact Mass 780.083812 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EprRlfKvDWd
Name 1,3,6-tri-o-Acetyl-2-o-trichloroacetyl-4-o-(2,3,4,6-tetra-o-acetyl-A-D-glucopyranosyl)-B-D-glucopyranose
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 780.083811988 u
Formula C28H35Cl3O19
InChI InChI=1S/C28H35Cl3O19/c1-10(32)40-8-17-19(42-12(3)34)21(43-13(4)35)23(45-15(6)37)26(48-17)49-20-18(9-41-11(2)33)47-25(46-16(7)38)24(22(20)44-14(5)36)50-27(39)28(29,30)31/h17-26H,8-9H2,1-7H3/t17-,18-,19+,20+,21-,22-,23-,24-,25+,26+/m0/s1
InChIKey YCJAAWXBVKIQLN-OTUHZUGYSA-N
Molecular Weight 781.928 g/mol
SMILES [C@@]1([C@@](O[C@@]([C@]([C@]1(OC(C)=O)[H])(OC(C)=O)[H])(O[C@@]1([C@@](O[C@]([C@]([C@]1(OC(C)=O)[H])(OC(C(Cl)(Cl)Cl)=O)[H])(OC(C)=O)[H])(COC(=O)C)[H])[H])[H])(COC(=O)C)[H])(OC(C)=O)[H]