Natural Isotopic formula weight: 580.57918
This is of the category, More Trimers Containing Ferulic, Coumaric or p-OH-Benzoic Acid
lignin_cw_compound_2068 image
lignin_cw_compound_2068

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bmse010321 Data       Entry STAR file: bmse010321.str       

Authors: Sally Ralph, John Ralph, Larry L. Landucci NMR Database of Lignin and Cell Wall Model Compounds.
Concentration: Saturated Source: Stephane Quideau
Spectrometer:   Bruker DRX - 360 MHz

Assigned chemical shifts
Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1Ac20.254
C2Ac20.944
C3B3OMe56.211
C4OMe56.391
C5OMe56.391
C18G64.011
C30A73.491
C28B83.041
C16A2104.371
C17A6104.371
C8B2113.661
C15CB118.841
C7B5119.771
C9B6121.731
C13C3123.181
C14C5123.181
C6B1123.671
C31A4128.891
C10C2130.151
C11C6130.151
C21C1132.861
C22A1140.771
C12CA144.381
C25B4148.691
C24B3152.041
C26A3152.891
C27A5152.891
C23C4153.431
C29CG166.801
C19AcC=O168.584
C20AcC=O169.434
H43Ac2.204
H44Ac2.204
H45Ac2.204
H46Ac2.264
H47Ac2.264
H48Ac2.264
H52OMe3.781
H53OMe3.781
H54OMe3.781
H55OMe3.781
H56OMe3.781
H57OMe3.781
H49B3OMe3.811
H50B3OMe3.811
H51B3OMe3.811
H70G14.471
H71G24.521
H72B4.731
H74AOH4.781
H73A5.071
H67CB6.411
H59B66.841
H68A26.881
H69A66.881
H58B16.951
H60B26.951
H61B57.041
H65C37.171
H66C57.171
H64CA7.511
H62C27.661
H63C67.661