Lignin_cw_compound_2030 (C24 H24 O9)

bmse010472 Data

Entry STAR file: bmse010472.str

NMR-STAR interactive viewer

Authors: Sally Ralph, John Ralph, Larry L. Landucci

From: NMR Database of Lignin and Cell Wall Model Compounds.

Natural Isotopic formula weight: 456.44196

This is of the category: b-b Dimers

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_2030 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.614
C2AcMe20.634
C16BB49.891
C21B53.141
C4A3OMe55.991
C3B3OMe56.061
C11BG72.801
C23A82.991
C22BA83.891
C10A2109.131
C9B2109.351
C6A6117.141
C5B6117.221
C8A5122.981
C7B5123.381
C14B1138.041
C18A4139.261
C15A1139.321
C17B4139.961
C20A3151.351
C19B3151.661
C12AcC=O169.044
C13AcC=O168.904
C24G176.661

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.451
C2AcMe20.451
C16BB50.331
C21B53.591
C4A3OMe56.241
C3B3OMe56.351
C11BG73.721
C23A84.011
C22BA84.931
C10A2110.861
C9B2111.051
C6A6118.401
C5B6118.531
C8A5123.651
C7B5123.961
C14B1139.951
C18A4140.401
C15A1140.681
C17B4140.961
C20A3152.381
C19B3152.621
C12AcC=O168.984
C13AcC=O168.944
C24G177.491
H55B3.721
H54BB3.451
H52BGtrans4.122
H53BGcis4.392
H56BA5.521
H57A5.291

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.391
C2AcMe20.391
C16BB48.621
C21B52.191
C4A3OMe55.821
C3B3OMe55.951
C11BG72.511
C23A82.491
C22BA83.931
C10A2110.371
C9B2110.691
C6A6117.871
C5B6118.001
C8A5122.801
C7B5123.071
C14B1138.711
C18A4138.801
C15A1139.211
C17B4139.301
C20A3150.881
C19B3151.051
C12AcC=O168.574
C13AcC=O168.534
C24G176.981