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METHYL-2-O-ACETYL-4,6-O-BENZYLIDENE-3-O-(2,3,4,6-TETRA-O-BENZYL-ALPHA-D-GLUCOPYRANOSYL)-ALPHA-D-ALTROPYRANOSE
SpectraBase Compound ID FiI5kZe89qx
InChI InChI=1S/C50H54O12/c1-34(51)58-47-45(43-41(59-49(47)52-2)33-57-48(61-43)39-26-16-7-17-27-39)62-50-46(56-31-38-24-14-6-15-25-38)44(55-30-37-22-12-5-13-23-37)42(54-29-36-20-10-4-11-21-36)40(60-50)32-53-28-35-18-8-3-9-19-35/h3-27,40-50H,28-33H2,1-2H3/t40-,41-,42-,43-,44+,45-,46-,47+,48-,49+,50-/m1/s1
InChIKey LZUYRAOQRJRQEO-LECRLQIHSA-N
Mol Weight 847.0 g/mol
Molecular Formula C50H54O12
Exact Mass 846.361527 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J6GiSjVuvOU
Name METHYL-2-O-ACETYL-4,6-O-BENZYLIDENE-3-O-(2,3,4,6-TETRA-O-BENZYL-ALPHA-D-GLUCOPYRANOSYL)-ALPHA-D-ALTROPYRANOSE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H54O12
InChI InChI=1S/C50H54O12/c1-34(51)58-47-45(43-41(59-49(47)52-2)33-57-48(61-43)39-26-16-7-17-27-39)62-50-46(56-31-38-24-14-6-15-25-38)44(55-30-37-22-12-5-13-23-37)42(54-29-36-20-10-4-11-21-36)40(60-50)32-53-28-35-18-8-3-9-19-35/h3-27,40-50H,28-33H2,1-2H3/t40-,41-,42-,43-,44+,45-,46-,47+,48-,49+,50-/m1/s1
InChIKey LZUYRAOQRJRQEO-LECRLQIHSA-N
Literature Reference Author E.BOZO,A.VASELLA
Literature Reference Citation HELV.CHIM.ACTA,75,2613(1992)
Literature Reference DOI 10.1002/hlca.19920750816
Molecular Weight 846.972 g/mol
Solvent CDCl3
Source File Reference UWCS8840