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METHYL-3-O-ACETYL-4,6-O-BENZYLIDENE-2-O-(2,3,4,6-TETRA-O-BENZYL-BETA-D-GLUCOPYRANOSYL)-BETA-D-MANNOPYRANOSIDE
SpectraBase Compound ID 9PaBqduJwW5
InChI InChI=1S/C50H54O12/c1-34(51)58-45-43-41(33-57-48(61-43)39-26-16-7-17-27-39)59-49(52-2)47(45)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+/m0/s1
InChIKey VAHPVFAMUZXNKO-MAXSHEMVSA-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 DQHJcSk7jE
Name METHYL-3-O-ACETYL-4,6-O-BENZYLIDENE-2-O-(2,3,4,6-TETRA-O-BENZYL-BETA-D-GLUCOPYRANOSYL)-BETA-D-MANNOPYRANOSIDE
Compound Number 71
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)58-45-43-41(33-57-48(61-43)39-26-16-7-17-27-39)59-49(52-2)47(45)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+/m0/s1
InChIKey VAHPVFAMUZXNKO-MAXSHEMVSA-N
Literature Reference Author P.R.MUDDASANI,E.BOZO,B.BERNET,A.VASELLA
Literature Reference Citation HELV.CHIM.ACTA,77,257(1994)
Literature Reference DOI 10.1002/hlca.19940770128
Molecular Weight 846.972 g/mol
Solvent CDCl3
Source File Reference UWVP4337