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2,3-DI-O-BENZOYL-4,6-O-BENZYLIDENE-BETA-D-GLUCOPYRANOSYL-(1->4)-2,3,6-TRI-O-BENZOYL-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 6xdqqPq2uuK
InChI InChI=1S/C54H46O16/c55-47(33-19-7-1-8-20-33)61-31-39-41(43(65-48(56)34-21-9-2-10-22-34)45(52(60)63-39)67-50(58)36-25-13-4-14-26-36)70-54-46(68-51(59)37-27-15-5-16-28-37)44(66-49(57)35-23-11-3-12-24-35)42-40(64-54)32-62-53(69-42)38-29-17-6-18-30-38/h1-30,39-46,52-54,60H,31-32H2/t39-,40-,41-,42-,43+,44+,45-,46-,52?,53-,54+/m1/s1
InChIKey PGPQKJHIBIWYJG-TXXIXZENSA-N
Mol Weight 950.9 g/mol
Molecular Formula C54H46O16
Exact Mass 950.278585 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J3Pooi9i4MU
Name 2,3-DI-O-BENZOYL-4,6-O-BENZYLIDENE-BETA-D-GLUCOPYRANOSYL-(1->4)-2,3,6-TRI-O-BENZOYL-D-GLUCOPYRANOSIDE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H46O16
InChI InChI=1S/C54H46O16/c55-47(33-19-7-1-8-20-33)61-31-39-41(43(65-48(56)34-21-9-2-10-22-34)45(52(60)63-39)67-50(58)36-25-13-4-14-26-36)70-54-46(68-51(59)37-27-15-5-16-28-37)44(66-49(57)35-23-11-3-12-24-35)42-40(64-54)32-62-53(69-42)38-29-17-6-18-30-38/h1-30,39-46,52-54,60H,31-32H2/t39-,40-,41-,42-,43+,44+,45-,46-,52?,53-,54+/m1/s1
InChIKey PGPQKJHIBIWYJG-TXXIXZENSA-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 950.950 g/mol
Solvent CDCl3
Source File Reference UWLU29813