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2-[(11-TRITYLSULFANYL-UNDECANOYL)-AMINO]-ETHYL-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 3vVf6HXWeGl
InChI InChI=1S/C40H54N2O7S/c1-30(44)42-36-38(47)37(46)34(29-43)49-39(36)48-27-26-41-35(45)25-17-6-4-2-3-5-7-18-28-50-40(31-19-11-8-12-20-31,32-21-13-9-14-22-32)33-23-15-10-16-24-33/h8-16,19-24,34,36-39,43,46-47H,2-7,17-18,25-29H2,1H3,(H,41,45)(H,42,44)/t34-,36-,37-,38-,39-/m1/s1
InChIKey XMOVKKKRYURPNX-TVUVSOPYSA-N
Mol Weight 706.9 g/mol
Molecular Formula C40H54N2O7S
Exact Mass 706.365173 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HcZEvoxngB7
Name 2-[(11-TRITYLSULFANYL-UNDECANOYL)-AMINO]-ETHYL-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H54N2O7S
InChI InChI=1S/C40H54N2O7S/c1-30(44)42-36-38(47)37(46)34(29-43)49-39(36)48-27-26-41-35(45)25-17-6-4-2-3-5-7-18-28-50-40(31-19-11-8-12-20-31,32-21-13-9-14-22-32)33-23-15-10-16-24-33/h8-16,19-24,34,36-39,43,46-47H,2-7,17-18,25-29H2,1H3,(H,41,45)(H,42,44)/t34-,36-,37-,38-,39-/m1/s1
InChIKey XMOVKKKRYURPNX-TVUVSOPYSA-N
Literature Reference Author M.J.WEISSENBORN,J.W.WEHNER,C.J.GRAY,R.SARDZIK,C.E.EYERS,T.K. LINDHORST
Literature Reference Citation BEIL.J.ORG.CHEM.,8,753(2012)
Literature Reference DOI 10.3762/bjoc.8.86
Molecular Weight 706.938 g/mol
Solvent CD3OD
Source File Reference UWIR11323