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#18;METHYL_2,3,4-TRI-O-BENZYL-6-O-(2,3,4-TRI-O-BENZOYL-6-O-(2,3,4,6-TETRA-O-BENZOYL-BETA-D-GLUCOPYRANOSYL)-BETA-D-GLUCOPYRANOSYL-ALPHA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 90PnNtkGXwX
InChI InChI=1S/C89H80O23/c1-97-87-77(100-54-60-36-16-4-17-37-60)74(99-53-59-34-14-3-15-35-59)71(98-52-58-32-12-2-13-33-58)68(104-87)56-102-88-79(112-86(96)67-50-30-11-31-51-67)76(110-84(94)65-46-26-9-27-47-65)73(108-82(92)63-42-22-7-23-43-63)70(106-88)57-103-89-78(111-85(95)66-48-28-10-29-49-66)75(109-83(93)64-44-24-8-25-45-64)72(107-81(91)62-40-20-6-21-41-62)69(105-89)55-101-80(90)61-38-18-5-19-39-61/h2-51,68-79,87-89H,52-57H2,1H3/t68-,69-,70+,71-,72-,73+,74+,75+,76-,77-,78-,79+,87+,88+,89-/m1/s1
InChIKey VPIZLDSRECVXRZ-FXFVATRGSA-N
Mol Weight 1517.6 g/mol
Molecular Formula C89H80O23
Exact Mass 1516.509039 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7thYLYQRRro
Name #18;METHYL_2,3,4-TRI-O-BENZYL-6-O-(2,3,4-TRI-O-BENZOYL-6-O-(2,3,4,6-TETRA-O-BENZOYL-BETA-D-GLUCOPYRANOSYL)-BETA-D-GLUCOPYRANOSYL-ALPHA-D-GLUCOPYRANOSIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C89H80O23
InChI InChI=1S/C89H80O23/c1-97-87-77(100-54-60-36-16-4-17-37-60)74(99-53-59-34-14-3-15-35-59)71(98-52-58-32-12-2-13-33-58)68(104-87)56-102-88-79(112-86(96)67-50-30-11-31-51-67)76(110-84(94)65-46-26-9-27-47-65)73(108-82(92)63-42-22-7-23-43-63)70(106-88)57-103-89-78(111-85(95)66-48-28-10-29-49-66)75(109-83(93)64-44-24-8-25-45-64)72(107-81(91)62-40-20-6-21-41-62)69(105-89)55-101-80(90)61-38-18-5-19-39-61/h2-51,68-79,87-89H,52-57H2,1H3/t68-,69-,70+,71-,72-,73+,74+,75+,76-,77-,78-,79+,87+,88+,89-/m1/s1
InChIKey VPIZLDSRECVXRZ-FXFVATRGSA-N
Literature Reference Author R.GEURTSEN,D.S.HOLMES,G.J.BOONS
Literature Reference Citation J.ORG.CHEM.,62,8145(1997)
Literature Reference DOI 10.1021/jo971233k
Molecular Weight 1517.600 g/mol
Solvent CDCl3
Source File Reference UWMZ5271