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2,3,4,3',4'-PENTA-O-ACETYL-6,1',6'-TRI-O-(2,4,6-TRIMETHYLBENZENESULFONYL)-SUCROSE

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2,3,4,3',4'-PENTA-O-ACETYL-6,1',6'-TRI-O-(2,4,6-TRIMETHYLBENZENESULFONYL)-SUCROSE
SpectraBase Compound ID 1c4aa0nL69U
InChI InChI=1S/C49H62O22S3/c1-24-15-27(4)44(28(5)16-24)72(55,56)61-21-38-40(64-33(10)50)42(66-35(12)52)43(67-36(13)53)48(69-38)71-49(23-63-74(59,60)46-31(8)19-26(3)20-32(46)9)47(68-37(14)54)41(65-34(11)51)39(70-49)22-62-73(57,58)45-29(6)17-25(2)18-30(45)7/h15-20,38-43,47-48H,21-23H2,1-14H3/t38-,39+,40-,41+,42+,43-,47-,48-,49-/m1/s1
InChIKey RMARFSSHIBWIBF-LODPFLAQSA-N
Mol Weight 1099.2 g/mol
Molecular Formula C49H62O22S3
Exact Mass 1098.289487 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3fhCY7QPHW2
Name 2,3,4,3',4'-PENTA-O-ACETYL-6,1',6'-TRI-O-(2,4,6-TRIMETHYLBENZENESULFONYL)-SUCROSE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H62O22S3
InChI InChI=1S/C49H62O22S3/c1-24-15-27(4)44(28(5)16-24)72(55,56)61-21-38-40(64-33(10)50)42(66-35(12)52)43(67-36(13)53)48(69-38)71-49(23-63-74(59,60)46-31(8)19-26(3)20-32(46)9)47(68-37(14)54)41(65-34(11)51)39(70-49)22-62-73(57,58)45-29(6)17-25(2)18-30(45)7/h15-20,38-43,47-48H,21-23H2,1-14H3/t38-,39+,40-,41+,42+,43-,47-,48-,49-/m1/s1
InChIKey RMARFSSHIBWIBF-LODPFLAQSA-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 1099.198 g/mol
Solvent CDCl3
Source File Reference UWED1635