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METHYL-2,3-DI-O-BENZOYL-4-[(1'R,4'R,5'R,6'S)-4',6'-DIBENZYLOXY-3'-BENZYLOXYMETHYL-5-HYDROXY-CYCLOHEX-2'-ENYL]-AMINO-4,6-DIDEOXY-BETA-D-GLUCOPYRANOSIDE;#21
SpectraBase Compound ID H6hChItAp1F
InChI InChI=1S/C49H51NO10/c1-33-41(45(59-47(52)37-24-14-6-15-25-37)46(49(54-2)58-33)60-48(53)38-26-16-7-17-27-38)50-40-28-39(32-55-29-34-18-8-3-9-19-34)43(56-30-35-20-10-4-11-21-35)42(51)44(40)57-31-36-22-12-5-13-23-36/h3-28,33,40-46,49-51H,29-32H2,1-2H3/t33-,40-,41-,42+,43-,44+,45+,46-,49-/m1/s1
InChIKey DDTSUMOEKRRHDE-GOMOLRAESA-N
Mol Weight 813.9 g/mol
Molecular Formula C49H51NO10
Exact Mass 813.351297 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4szfz9OcrKq
Name METHYL-2,3-DI-O-BENZOYL-4-[(1'R,4'R,5'R,6'S)-4',6'-DIBENZYLOXY-3'-BENZYLOXYMETHYL-5-HYDROXY-CYCLOHEX-2'-ENYL]-AMINO-4,6-DIDEOXY-BETA-D-GLUCOPYRANOSIDE;#21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H51NO10
InChI InChI=1S/C49H51NO10/c1-33-41(45(59-47(52)37-24-14-6-15-25-37)46(49(54-2)58-33)60-48(53)38-26-16-7-17-27-38)50-40-28-39(32-55-29-34-18-8-3-9-19-34)43(56-30-35-20-10-4-11-21-35)42(51)44(40)57-31-36-22-12-5-13-23-36/h3-28,33,40-46,49-51H,29-32H2,1-2H3/t33-,40-,41-,42+,43-,44+,45+,46-,49-/m1/s1
InChIKey DDTSUMOEKRRHDE-GOMOLRAESA-N
Literature Reference Author J.K.FAIRWEATHER,M.J.MCDONOUGH,R.V.STICK,D.M.G.TILBROOK
Literature Reference Citation AUSTR.J.CHEM.,57,197(2004)
Literature Reference DOI 10.1071/CH03203
Molecular Weight 813.945 g/mol
Solvent Unknown
Source File Reference UWVN7476