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METHYL-(PARA-METHOXYPHENYL-2,3-DI-O-BENZYL-4-(2,4-DI-O-BENZYL-BETA-D-GALACTOPYRANOSIDURONO-6,3-LACTONE)-ALPHA-D-GALACTOPYRANOSIDE)-URONATE
SpectraBase Compound ID CfhxHMun7Y0
InChI InChI=1S/C48H48O13/c1-51-35-23-25-36(26-24-35)57-47-43(55-29-33-19-11-5-12-20-33)38(54-28-32-17-9-4-10-18-32)39(42(61-47)45(49)52-2)59-48-44(56-30-34-21-13-6-14-22-34)40-37(41(60-48)46(50)58-40)53-27-31-15-7-3-8-16-31/h3-26,37-44,47-48H,27-30H2,1-2H3/t37-,38-,39+,40-,41+,42-,43+,44-,47-,48+/m1/s1
InChIKey XYVNDKZJHPKCOE-IRNPPTJYSA-N
Mol Weight 832.9 g/mol
Molecular Formula C48H48O13
Exact Mass 832.309492 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6riq0Vfk0gI
Name METHYL-(PARA-METHOXYPHENYL-2,3-DI-O-BENZYL-4-(2,4-DI-O-BENZYL-BETA-D-GALACTOPYRANOSIDURONO-6,3-LACTONE)-ALPHA-D-GALACTOPYRANOSIDE)-URONATE
Compound Number 27-ALPHA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H48O13
InChI InChI=1S/C48H48O13/c1-51-35-23-25-36(26-24-35)57-47-43(55-29-33-19-11-5-12-20-33)38(54-28-32-17-9-4-10-18-32)39(42(61-47)45(49)52-2)59-48-44(56-30-34-21-13-6-14-22-34)40-37(41(60-48)46(50)58-40)53-27-31-15-7-3-8-16-31/h3-26,37-44,47-48H,27-30H2,1-2H3/t37-,38-,39+,40-,41+,42-,43+,44-,47-,48+/m1/s1
InChIKey XYVNDKZJHPKCOE-IRNPPTJYSA-N
Literature Reference Author L.J.V.D.BOS,R.E.J.N.LITJENS,R.J.B.H.N.V.D.BERG,H.S.OVERKLEEF T,G.A.V.D.MAREL
Literature Reference Citation ORG.LETTERS,7,2007(2005)
Literature Reference DOI 10.1021/ol050491y
Molecular Weight 832.901 g/mol
Sample ID 42813
Solvent CDCl3