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(2,3,4,6-TETRA-O-TOLUOYL-ALPHA-D-MANNOPYRANOSYLOXY)-ACETIC-ACID

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(2,3,4,6-TETRA-O-TOLUOYL-ALPHA-D-MANNOPYRANOSYLOXY)-ACETIC-ACID
SpectraBase Compound ID 2zTd3e1C76j
InChI InChI=1S/C40H38O12/c1-23-5-13-27(14-6-23)36(43)47-21-31-33(50-37(44)28-15-7-24(2)8-16-28)34(51-38(45)29-17-9-25(3)10-18-29)35(40(49-31)48-22-32(41)42)52-39(46)30-19-11-26(4)12-20-30/h5-20,31,33-35,40H,21-22H2,1-4H3,(H,41,42)/t31-,33-,34+,35+,40+/m0/s1
InChIKey PRJHHEHGUNDBLO-MCANTHQNSA-N
Mol Weight 710.7 g/mol
Molecular Formula C40H38O12
Exact Mass 710.236327 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G6GmmAaJq0L
Name (2,3,4,6-TETRA-O-TOLUOYL-ALPHA-D-MANNOPYRANOSYLOXY)-ACETIC-ACID
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H38O12
InChI InChI=1S/C40H38O12/c1-23-5-13-27(14-6-23)36(43)47-21-31-33(50-37(44)28-15-7-24(2)8-16-28)34(51-38(45)29-17-9-25(3)10-18-29)35(40(49-31)48-22-32(41)42)52-39(46)30-19-11-26(4)12-20-30/h5-20,31,33-35,40H,21-22H2,1-4H3,(H,41,42)/t31-,33-,34+,35+,40+/m0/s1
InChIKey PRJHHEHGUNDBLO-MCANTHQNSA-N
Literature Reference Author M.KARSKELA,M.V.USEDOM,P.VIRTA,H.LOENNBERG
Literature Reference Citation EUR.J.ORG.CHEM.,2012,6594(2012)
Molecular Weight 710.735 g/mol
Solvent CD3OD:CDCl3=10:90
Source File Reference UWLU83741