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1,3-BIS-[(3,4-DI-O-BENZYL-1,2-O-ISOPROPYLIDENE-BETA-D-FRUCTOFURANOSE-6-O-YL)-METHYL]-BENZENE
SpectraBase Compound ID 6fTU7qRytB5
InChI InChI=1S/C54H62O12/c1-51(2)61-37-53(65-51)49(59-33-41-22-13-7-14-23-41)47(57-31-39-18-9-5-10-19-39)45(63-53)35-55-29-43-26-17-27-44(28-43)30-56-36-46-48(58-32-40-20-11-6-12-21-40)50(60-34-42-24-15-8-16-25-42)54(64-46)38-62-52(3,4)66-54/h5-28,45-50H,29-38H2,1-4H3/t45-,46+,47-,48+,49+,50-,53+,54-
InChIKey ZOPCCZLKOUCLEF-BJIHAUBMSA-N
Mol Weight 903.1 g/mol
Molecular Formula C54H62O12
Exact Mass 902.424127 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8lscGwNJigD
Name 1,3-BIS-[(3,4-DI-O-BENZYL-1,2-O-ISOPROPYLIDENE-BETA-D-FRUCTOFURANOSE-6-O-YL)-METHYL]-BENZENE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H62O12
InChI InChI=1S/C54H62O12/c1-51(2)61-37-53(65-51)49(59-33-41-22-13-7-14-23-41)47(57-31-39-18-9-5-10-19-39)45(63-53)35-55-29-43-26-17-27-44(28-43)30-56-36-46-48(58-32-40-20-11-6-12-21-40)50(60-34-42-24-15-8-16-25-42)54(64-46)38-62-52(3,4)66-54/h5-28,45-50H,29-38H2,1-4H3/t45-,46+,47-,48+,49+,50-,53+,54-
InChIKey ZOPCCZLKOUCLEF-BJIHAUBMSA-N
Literature Reference Author E.M.RUBIO,C.O.MELLET,J.M.G.FERNANDEZ
Literature Reference Citation ORG.LETTERS,5,873(2003)
Literature Reference DOI 10.1021/ol034022c
Molecular Weight 903.079 g/mol
Sample ID 47330
Solvent CDCl3