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4,6-DI-O-ACETYL-3-O-(2,3,4,6-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYL)-2-O-BENZOYL-1-O-TRICHLOROACETIMIDOYL-ALPHA-D-MANNOPYRANOSIDE

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4,6-DI-O-ACETYL-3-O-(2,3,4,6-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYL)-2-O-BENZOYL-1-O-TRICHLOROACETIMIDOYL-ALPHA-D-MANNOPYRANOSIDE
SpectraBase Compound ID 38jhyUrYb71
InChI InChI=1S/C33H38Cl3NO18/c1-14(38)45-12-21-23(47-16(3)40)25(49-18(5)42)27(50-19(6)43)30(51-21)54-26-24(48-17(4)41)22(13-46-15(2)39)52-31(55-32(37)33(34,35)36)28(26)53-29(44)20-10-8-7-9-11-20/h7-11,21-28,30-31,37H,12-13H2,1-6H3/t21-,22-,23-,24-,25+,26+,27+,28+,30-,31-/m1/s1
InChIKey YTCFGHMHANQWMA-MHSXUJDOSA-N
Mol Weight 843.0 g/mol
Molecular Formula C33H38Cl3NO18
Exact Mass 841.115446 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6SBzzfYn6iW
Name 4,6-DI-O-ACETYL-3-O-(2,3,4,6-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYL)-2-O-BENZOYL-1-O-TRICHLOROACETIMIDOYL-ALPHA-D-MANNOPYRANOSIDE
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H38Cl3NO18
InChI InChI=1S/C33H38Cl3NO18/c1-14(38)45-12-21-23(47-16(3)40)25(49-18(5)42)27(50-19(6)43)30(51-21)54-26-24(48-17(4)41)22(13-46-15(2)39)52-31(55-32(37)33(34,35)36)28(26)53-29(44)20-10-8-7-9-11-20/h7-11,21-28,30-31,37H,12-13H2,1-6H3/t21-,22-,23-,24-,25+,26+,27+,28+,30-,31-/m1/s1
InChIKey YTCFGHMHANQWMA-MHSXUJDOSA-N
Literature Reference Author C.CARPENTER,S.A.NEPOGODIEV
Literature Reference Citation EUR.J.ORG.CHEM.,3286(2005)
Molecular Weight 843.020 g/mol
Sample ID 30062
Solvent D2O