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OCTYL-5-O-(2,3,5-TRI-O-BENZOYL-ALPHA-D-ARABINOFURANOSYL)-2,3-DI-O-METHYL-ALPHA-D-ARABINOFURANOSIDE
SpectraBase Compound ID 96RecYxJvvS
InChI InChI=1S/C41H50O12/c1-4-5-6-7-8-18-25-47-40-35(46-3)33(45-2)31(50-40)27-49-41-36(53-39(44)30-23-16-11-17-24-30)34(52-38(43)29-21-14-10-15-22-29)32(51-41)26-48-37(42)28-19-12-9-13-20-28/h9-17,19-24,31-36,40-41H,4-8,18,25-27H2,1-3H3/t31-,32-,33-,34-,35+,36+,40+,41+/m0/s1
InChIKey RBNQSOURGAHCNP-VOTDEUOYSA-N
Mol Weight 734.8 g/mol
Molecular Formula C41H50O12
Exact Mass 734.330227 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 20BjzSZXdJ0
Name OCTYL-5-O-(2,3,5-TRI-O-BENZOYL-ALPHA-D-ARABINOFURANOSYL)-2,3-DI-O-METHYL-ALPHA-D-ARABINOFURANOSIDE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H50O12
InChI InChI=1S/C41H50O12/c1-4-5-6-7-8-18-25-47-40-35(46-3)33(45-2)31(50-40)27-49-41-36(53-39(44)30-23-16-11-17-24-30)34(52-38(43)29-21-14-10-15-22-29)32(51-41)26-48-37(42)28-19-12-9-13-20-28/h9-17,19-24,31-36,40-41H,4-8,18,25-27H2,1-3H3/t31-,32-,33-,34-,35+,36+,40+,41+/m0/s1
InChIKey RBNQSOURGAHCNP-VOTDEUOYSA-N
Literature Reference Author A.K.PATHAK,V.PATHAK,J.A.MADDRY,S.S.GURCHA,G.S.BESRA,W.J.SULI NG,R.C.REYNOLDS
Literature Reference Citation BIOORG.MED.CHEM.,9,3145(2001)
Literature Reference DOI 10.1016/S0968-0896(01)00180-8
Molecular Weight 734.841 g/mol
Solvent CDCl3
Source File Reference UWMS22276