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2-O-BENZOYL-3,4-O,N-CARBONYL-1,6-EPITHIO-4-[(1R,4R,5S,6S)-4,5,6-TRIBENZYLOXY-3-(BENZYLOXYMETHYL)-CYCLOHEX-2-ENYL]-AMINO-1,4,6-TRIDEOXY-BETA-D-GLUC
SpectraBase Compound ID 1V5jCUky05F
InChI InChI=1S/C49H47NO9S/c51-47(37-24-14-5-15-25-37)58-46-44-41(40-32-60-48(46)57-40)50(49(52)59-44)39-26-38(31-53-27-33-16-6-1-7-17-33)42(54-28-34-18-8-2-9-19-34)45(56-30-36-22-12-4-13-23-36)43(39)55-29-35-20-10-3-11-21-35/h1-26,39-46,48H,27-32H2/t39-,40-,41-,42-,43+,44+,45+,46-,48+/m0/s1
InChIKey QRRCTYRDCDHYSP-KVHWTEGGSA-N
Mol Weight 826.0 g/mol
Molecular Formula C49H47NO9S
Exact Mass 825.297153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E6nBDViR1iW
Name 2-O-BENZOYL-3,4-O,N-CARBONYL-1,6-EPITHIO-4-[(1R,4R,5S,6S)-4,5,6-TRIBENZYLOXY-3-(BENZYLOXYMETHYL)-CYCLOHEX-2-ENYL]-AMINO-1,4,6-TRIDEOXY-BETA-D-GLUC
Compound Number 35
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H47NO9S
InChI InChI=1S/C49H47NO9S/c51-47(37-24-14-5-15-25-37)58-46-44-41(40-32-60-48(46)57-40)50(49(52)59-44)39-26-38(31-53-27-33-16-6-1-7-17-33)42(54-28-34-18-8-2-9-19-34)45(56-30-36-22-12-4-13-23-36)43(39)55-29-35-20-10-3-11-21-35/h1-26,39-46,48H,27-32H2/t39-,40-,41-,42-,43+,44+,45+,46-,48+/m0/s1
InChIKey QRRCTYRDCDHYSP-KVHWTEGGSA-N
Literature Reference Author R.V.STICK,D.M.G.TILBROOK,S.J.WILLIAMS
Literature Reference Citation AUSTR.J.CHEM.,52,885(1999)
Literature Reference DOI 10.1071/CH99030
Molecular Weight 825.973 g/mol
Solvent Unknown
Source File Reference UWRU4924