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2,3,4,3',4'-PENTA-O-ACETYL-6,6'-DI-O-BENZOYL-1'-O-(2,4,6-TRIMETHYLBENZENESULFONYL)-SUCROSE
SpectraBase Compound ID AxrMfV7iCIA
InChI InChI=1S/C45H50O20S/c1-24-19-25(2)40(26(3)20-24)66(53,54)57-23-45(41(62-31(8)50)37(59-28(5)47)35(64-45)22-56-43(52)33-17-13-10-14-18-33)65-44-39(61-30(7)49)38(60-29(6)48)36(58-27(4)46)34(63-44)21-55-42(51)32-15-11-9-12-16-32/h9-20,34-39,41,44H,21-23H2,1-8H3/t34-,35+,36-,37+,38+,39-,41-,44-,45-/m1/s1
InChIKey FFWDRPMMQOMIMN-AANJSQGESA-N
Mol Weight 942.9 g/mol
Molecular Formula C45H50O20S
Exact Mass 942.261615 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 24r1J181GMX
Name 2,3,4,3',4'-PENTA-O-ACETYL-6,6'-DI-O-BENZOYL-1'-O-(2,4,6-TRIMETHYLBENZENESULFONYL)-SUCROSE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H50O20S
InChI InChI=1S/C45H50O20S/c1-24-19-25(2)40(26(3)20-24)66(53,54)57-23-45(41(62-31(8)50)37(59-28(5)47)35(64-45)22-56-43(52)33-17-13-10-14-18-33)65-44-39(61-30(7)49)38(60-29(6)48)36(58-27(4)46)34(63-44)21-55-42(51)32-15-11-9-12-16-32/h9-20,34-39,41,44H,21-23H2,1-8H3/t34-,35+,36-,37+,38+,39-,41-,44-,45-/m1/s1
InChIKey FFWDRPMMQOMIMN-AANJSQGESA-N
Literature Reference Author R.D.G.GUTHRIE,I.D.JENKINS,J.J.WATTERS
Literature Reference Citation AUSTR.J.CHEM.,33,2487(1980)
Literature Reference DOI 10.1071/ch9802487
Molecular Weight 942.940 g/mol
Solvent CDCl3
Source File Reference UWED1636