Lignin_cw_compound_3008 (C28 H32 O11)

bmse010336 Data

Entry STAR file: bmse010336.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: 544.54708

This is of the category: b-O-4 Dimers, 3-Carbon Sidechain

Concentration: Saturated (Source: Liming Zhang)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_3008 image

Assigned chemical shifts

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.414
C2AcMe20.554
C3AcMe20.754
C4AcMe20.894
C5OMe56.234
C6OMe56.274
C16G63.541
C13BG65.331
C28A75.291
C27B80.621
C14B2111.301
C15A2112.631
C11B5118.731
C10A6120.281
C9B6120.521
C7BB123.251
C12A5123.541
C21B1132.341
C8BA134.141
C22A1136.591
C23A4140.901
C24B4149.081
C25B3151.741
C26A3152.211
C19A4AcC=O168.851
C20AAcC=O169.951
C18GAcC=O170.641
C17BGAcC=O170.641
H45GAcMe1.951
H43GAcMe1.951
H44GAcMe1.951
H42BGAcMe2.011
H41BGAcMe2.011
H40BGAcMe2.011
H51AAcMe2.021
H50AAcMe2.021
H49AAcMe2.021
H47A4AcMe2.211
H46A4AcMe2.211
H48A4AcMe2.211
H53OMe3.824
H52OMe3.824
H54OMe3.824
H55OMe3.854
H56OMe3.854
H57OMe3.854
H68G14.021
H69G24.251
H64BG4.661
H65BG4.661
H70B4.811
H71A6.101
H58BB6.261
H59BA6.631
H60B66.951
H62B57.001
H63A57.031
H61A67.091
H66B27.141
H67A27.221