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4-PENTENYL-2,4-DI-O-BENZYL-3,6-DIDEOXY-ALPHA-D-XYLO-HEXOPYRANOSYL-(1->3)-2,4,6-TRI-O-BENZYL-ALPHA-D-MANNOPYRANOSIDE
SpectraBase Compound ID 9qvXKFXYhFE
InChI InChI=1S/C52H60O9/c1-3-4-20-31-54-52-50(58-37-44-29-18-9-19-30-44)49(48(57-36-43-27-16-8-17-28-43)47(60-52)38-53-33-40-21-10-5-11-22-40)61-51-46(56-35-42-25-14-7-15-26-42)32-45(39(2)59-51)55-34-41-23-12-6-13-24-41/h3,5-19,21-30,39,45-52H,1,4,20,31-38H2,2H3/t39-,45-,46-,47+,48+,49-,50-,51-,52-/m1/s1
InChIKey GJJRKWUWXHNVDJ-OHNCVAFMSA-N
Mol Weight 829.0 g/mol
Molecular Formula C52H60O9
Exact Mass 828.423734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5xP4YyB55Hj
Name 4-PENTENYL-2,4-DI-O-BENZYL-3,6-DIDEOXY-ALPHA-D-XYLO-HEXOPYRANOSYL-(1->3)-2,4,6-TRI-O-BENZYL-ALPHA-D-MANNOPYRANOSIDE
Compound Number 24-ALPHA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H60O9
InChI InChI=1S/C52H60O9/c1-3-4-20-31-54-52-50(58-37-44-29-18-9-19-30-44)49(48(57-36-43-27-16-8-17-28-43)47(60-52)38-53-33-40-21-10-5-11-22-40)61-51-46(56-35-42-25-14-7-15-26-42)32-45(39(2)59-51)55-34-41-23-12-6-13-24-41/h3,5-19,21-30,39,45-52H,1,4,20,31-38H2,2H3/t39-,45-,46-,47+,48+,49-,50-,51-,52-/m1/s1
InChIKey GJJRKWUWXHNVDJ-OHNCVAFMSA-N
Literature Reference Author H.N.YU,C.C.LING,D.R.BUNDLE
Literature Reference Citation CAN.J.CHEM.,80,1131(2002)
Literature Reference DOI 10.1139/v02-121
Molecular Weight 829.043 g/mol
Solvent CDCl3
Source File Reference UWVN27269