John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=2BNTYlP1fx2 SpectraBase Spectrum ID=1i97R3bEoQJ

(accessed ).
3-[(2,3,4,6-TETRA-O-TOLUOYL-ALPHA-D-MANNOPYRANOSYLOXY)-ACETAMIDO]-PROPANOIC-ACID
SpectraBase Compound ID 2BNTYlP1fx2
InChI InChI=1S/C43H43NO13/c1-25-5-13-29(14-6-25)39(48)52-23-33-36(55-40(49)30-15-7-26(2)8-16-30)37(56-41(50)31-17-9-27(3)10-18-31)38(57-42(51)32-19-11-28(4)12-20-32)43(54-33)53-24-34(45)44-22-21-35(46)47/h5-20,33,36-38,43H,21-24H2,1-4H3,(H,44,45)(H,46,47)/t33-,36-,37+,38+,43+/m0/s1
InChIKey KQPUTAXMLQBANB-AJPUYCPHSA-N
Mol Weight 781.8 g/mol
Molecular Formula C43H43NO13
Exact Mass 781.273441 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1i97R3bEoQJ
Name 3-[(2,3,4,6-TETRA-O-TOLUOYL-ALPHA-D-MANNOPYRANOSYLOXY)-ACETAMIDO]-PROPANOIC-ACID
Compound Number 16
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H43NO13
InChI InChI=1S/C43H43NO13/c1-25-5-13-29(14-6-25)39(48)52-23-33-36(55-40(49)30-15-7-26(2)8-16-30)37(56-41(50)31-17-9-27(3)10-18-31)38(57-42(51)32-19-11-28(4)12-20-32)43(54-33)53-24-34(45)44-22-21-35(46)47/h5-20,33,36-38,43H,21-24H2,1-4H3,(H,44,45)(H,46,47)/t33-,36-,37+,38+,43+/m0/s1
InChIKey KQPUTAXMLQBANB-AJPUYCPHSA-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 781.813 g/mol
Solvent CDCl3
Source File Reference UWLU83743
SpectraBase Batch ID Ivnwj2LUmIE