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2,3,4,6-TETRA-O-BENZOYL-BETA-D-GLUCOPYRANOSYL-(1->3)-2-O-BENZOYL-BETA-D-GALACTOPYRANOSYL-(1->4)-1,2,3,6-TETRA-O-BENZOYL-ALPHA-D-MANNOPYRANOSE
SpectraBase Compound ID Jzpz18kB8Jc
InChI InChI=1S/C81H68O25/c82-46-58-61(83)64(105-80-68(102-76(90)55-40-22-7-23-41-55)65(99-73(87)52-34-16-4-17-35-52)62(98-72(86)51-32-14-3-15-33-51)59(96-80)47-93-70(84)49-28-10-1-11-29-49)67(101-75(89)54-38-20-6-21-39-54)79(95-58)104-63-60(48-94-71(85)50-30-12-2-13-31-50)97-81(106-78(92)57-44-26-9-27-45-57)69(103-77(91)56-42-24-8-25-43-56)66(63)100-74(88)53-36-18-5-19-37-53/h1-45,58-69,79-83H,46-48H2/t58-,59-,60+,61+,62-,63+,64+,65+,66-,67-,68-,69-,79+,80+,81+/m1/s1
InChIKey MIYFYBUYWNNUDL-JSRWLZHRSA-N
Mol Weight 1441.4 g/mol
Molecular Formula C81H68O25
Exact Mass 1440.404968 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2K2WqBrq68Y
Name 2,3,4,6-TETRA-O-BENZOYL-BETA-D-GLUCOPYRANOSYL-(1->3)-2-O-BENZOYL-BETA-D-GALACTOPYRANOSYL-(1->4)-1,2,3,6-TETRA-O-BENZOYL-ALPHA-D-MANNOPYRANOSE
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C81H68O25
InChI InChI=1S/C81H68O25/c82-46-58-61(83)64(105-80-68(102-76(90)55-40-22-7-23-41-55)65(99-73(87)52-34-16-4-17-35-52)62(98-72(86)51-32-14-3-15-33-51)59(96-80)47-93-70(84)49-28-10-1-11-29-49)67(101-75(89)54-38-20-6-21-39-54)79(95-58)104-63-60(48-94-71(85)50-30-12-2-13-31-50)97-81(106-78(92)57-44-26-9-27-45-57)69(103-77(91)56-42-24-8-25-43-56)66(63)100-74(88)53-36-18-5-19-37-53/h1-45,58-69,79-83H,46-48H2/t58-,59-,60+,61+,62-,63+,64+,65+,66-,67-,68-,69-,79+,80+,81+/m1/s1
InChIKey MIYFYBUYWNNUDL-JSRWLZHRSA-N
Literature Reference Author A.P.HIGSON,Y.E.TSVETKOV,M.A.J.FERGUSON,A.V.NIKOLAEV
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2587(1998)
Literature Reference DOI 10.1039/a802747a
Molecular Weight 1441.416 g/mol
Solvent CDCl3
Source File Reference UWMZ3525