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#19;O-[2,3-DI-O-BENZOYL-4,6-[(S)-1-(METHOXYCARBONYL)-ETHYLIDENE]-3-O-METHYL-BETA-D-GLUCOPYRANOSYL]-(1->3)-2,4,6-TRI-O-BENZOYL-BETA-D-GLUCOPYRANOSYL-CHLORIDE
SpectraBase Compound ID 1q06vl34pmT
InChI InChI=1S/C45H43ClO16/c1-45(44(51)53-3)55-25-31-33(62-45)34(52-2)37(60-42(50)29-22-14-7-15-23-29)43(57-31)61-35-32(58-40(48)27-18-10-5-11-19-27)30(24-54-39(47)26-16-8-4-9-17-26)56-38(46)36(35)59-41(49)28-20-12-6-13-21-28/h4-23,30-38,43H,24-25H2,1-3H3/t30-,31+,32-,33+,34-,35+,36-,37+,38+,43-,45-/m1/s1
InChIKey VRPHLMAPJYKGFC-MSIGCPPDSA-N
Mol Weight 875.3 g/mol
Molecular Formula C45H43ClO16
Exact Mass 874.223963 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 128dVm8yW4f
Name #19;O-[2,3-DI-O-BENZOYL-4,6-[(S)-1-(METHOXYCARBONYL)-ETHYLIDENE]-3-O-METHYL-BETA-D-GLUCOPYRANOSYL]-(1->3)-2,4,6-TRI-O-BENZOYL-BETA-D-GLUCOPYRANOSYL-CHLORIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H43ClO16
InChI InChI=1S/C45H43ClO16/c1-45(44(51)53-3)55-25-31-33(62-45)34(52-2)37(60-42(50)29-22-14-7-15-23-29)43(57-31)61-35-32(58-40(48)27-18-10-5-11-19-27)30(24-54-39(47)26-16-8-4-9-17-26)56-38(46)36(35)59-41(49)28-20-12-6-13-21-28/h4-23,30-38,43H,24-25H2,1-3H3/t30-,31+,32-,33+,34-,35+,36-,37+,38+,43-,45-/m1/s1
InChIKey VRPHLMAPJYKGFC-MSIGCPPDSA-N
Literature Reference Author T.ZIEGLER,E.ECKHARDT,V.BIRAULT
Literature Reference Citation J.ORG.CHEM.,58,1090(1993)
Literature Reference DOI 10.1021/jo00057a021
Molecular Weight 875.280 g/mol
Solvent CDCl3
Source File Reference UWCS20205