Lignin_cw_compound_3006 (C25 H28 O10)

bmse010335 Data

Entry STAR file: bmse010335.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: 488.48382

This is of the category: b-1 Dimers

Concentration: Saturated (Source: Liming Zhang)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_3006 image

Assigned chemical shifts

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.434
C2AcMe20.464
C3AcMe20.654
C4AcMe20.834
C20B50.981
C5OMe56.204
C6OMe56.224
C13G64.861
C25A75.561
C12A2112.091
C11B2114.521
C8A6119.731
C7B6121.931
C9B5123.131
C10A5123.301
C18B1137.431
C19A1138.721
C21B4140.051
C22A4140.511
C23B3151.801
C24A3152.001
C15AcC=O168.894
C16AcC=O168.954
C17AAcC=O169.941
C14GAcC=O170.741
H37GAcMe1.921
H36GAcMe1.921
H38GAcMe1.921
H46AAcMe1.971
H47AAcMe1.971
H45AAcMe1.971
H40AcMe2.204
H39AcMe2.204
H41AcMe2.204
H44AcMe2.214
H42AcMe2.214
H43AcMe2.214
H62B3.501
H49OMe3.694
H48OMe3.694
H50OMe3.694
H53OMe3.734
H51OMe3.734
H52OMe3.734
H60G14.201
H61G24.371
H63A6.161
H54B66.841
H59A26.841
H55A66.871
H58B26.921
H56B56.961
H57A56.981