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ALLYL-[2,3-DI-O-BENZOYL-4,6-O-BENZYLIDENE-BETA-D-GLUCOPYRANOSYL-(1->4)]-2,3,6-TRI-O-BENZOYL-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID DrSjptEaNlD
InChI InChI=1S/C57H50O16/c1-2-33-63-56-48(70-53(61)39-27-15-6-16-28-39)46(68-51(59)37-23-11-4-12-24-37)45(42(66-56)34-64-50(58)36-21-9-3-10-22-36)73-57-49(71-54(62)40-29-17-7-18-30-40)47(69-52(60)38-25-13-5-14-26-38)44-43(67-57)35-65-55(72-44)41-31-19-8-20-32-41/h2-32,42-49,55-57H,1,33-35H2/t42-,43-,44-,45-,46+,47+,48-,49-,55-,56-,57+/m1/s1
InChIKey ZKYLEACAVXPOGK-ULZAMWSVSA-N
Mol Weight 991.0 g/mol
Molecular Formula C57H50O16
Exact Mass 990.309886 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ABHLYw1JqGm
Name ALLYL-[2,3-DI-O-BENZOYL-4,6-O-BENZYLIDENE-BETA-D-GLUCOPYRANOSYL-(1->4)]-2,3,6-TRI-O-BENZOYL-BETA-D-GLUCOPYRANOSIDE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C57H50O16
InChI InChI=1S/C57H50O16/c1-2-33-63-56-48(70-53(61)39-27-15-6-16-28-39)46(68-51(59)37-23-11-4-12-24-37)45(42(66-56)34-64-50(58)36-21-9-3-10-22-36)73-57-49(71-54(62)40-29-17-7-18-30-40)47(69-52(60)38-25-13-5-14-26-38)44-43(67-57)35-65-55(72-44)41-31-19-8-20-32-41/h2-32,42-49,55-57H,1,33-35H2/t42-,43-,44-,45-,46+,47+,48-,49-,55-,56-,57+/m1/s1
InChIKey ZKYLEACAVXPOGK-ULZAMWSVSA-N
Literature Reference Author D.J.LEFEBER,E.A.AREVALO,J.P.KAMERLING,J.F.G.VLIEGENTHART
Literature Reference Citation CAN.J.CHEM.,80,76(2002)
Literature Reference DOI 10.1139/v01-190
Molecular Weight 991.014 g/mol
Solvent CDCl3
Source File Reference UWLU29812