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CHOLESTAN-3'-BETA-YL-3,4,6-TRI-O-BENZYL-BETA-D-MANNOPYRANOSIDE
SpectraBase Compound ID Ili4vOZIDD0
InChI InChI=1S/C54H76O6/c1-37(2)16-15-17-38(3)45-26-27-46-44-25-24-42-32-43(28-30-53(42,4)47(44)29-31-54(45,46)5)59-52-49(55)51(58-35-41-22-13-8-14-23-41)50(57-34-40-20-11-7-12-21-40)48(60-52)36-56-33-39-18-9-6-10-19-39/h6-14,18-23,37-38,42-52,55H,15-17,24-36H2,1-5H3/t38-,42?,43+,44?,45-,46?,47?,48-,49+,50-,51-,52-,53+,54-/m1/s1
InChIKey XXIPJEZWVSCCPN-XOEKORSKSA-N
Mol Weight 821.2 g/mol
Molecular Formula C54H76O6
Exact Mass 820.56419 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9YFSIs7POw0
Name CHOLESTAN-3'-BETA-YL-3,4,6-TRI-O-BENZYL-BETA-D-MANNOPYRANOSIDE
Compound Number 13H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H76O6
InChI InChI=1S/C54H76O6/c1-37(2)16-15-17-38(3)45-26-27-46-44-25-24-42-32-43(28-30-53(42,4)47(44)29-31-54(45,46)5)59-52-49(55)51(58-35-41-22-13-8-14-23-41)50(57-34-40-20-11-7-12-21-40)48(60-52)36-56-33-39-18-9-6-10-19-39/h6-14,18-23,37-38,42-52,55H,15-17,24-36H2,1-5H3/t38-,42?,43+,44?,45-,46?,47?,48-,49+,50-,51-,52-,53+,54-/m1/s1
InChIKey XXIPJEZWVSCCPN-XOEKORSKSA-N
Literature Reference Author I.CUMPSTEY,A.J.FAIRBANKS,A.J.REDGRAVE
Literature Reference Citation MH.CHEM.,133,449(2002)
Literature Reference DOI 10.1007/s007060200020
Molecular Weight 821.194 g/mol
Solvent CDCl3
Source File Reference UWKP11528