Lignin_cw_compound_3005 (C25 H28 O10)

bmse010334 Data

Entry STAR file: bmse010334.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_3005 image

Assigned chemical shifts

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.414
C2AcMe20.444
C3AcMe20.724
C4AcMe21.014
C20B50.711
C5OMe56.184
C6OMe56.214
C13G64.711
C25A76.501
C12A2112.511
C11B2114.331
C8A6119.771
C7B6121.851
C10A5123.141
C9B5123.221
C18B1137.821
C19A1138.391
C21B4139.961
C22A4140.351
C23B3151.761
C24A3151.851
C15AcC=O168.844
C16AcC=O168.884
C17AAcC=O170.011
C14GAcC=O170.811
H37GAcMe1.931
H36GAcMe1.931
H38GAcMe1.931
H46AAcMe2.091
H47AAcMe2.091
H45AAcMe2.091
H40AcMe2.184
H39AcMe2.184
H41AcMe2.184
H44AcMe2.194
H42AcMe2.194
H43AcMe2.194
H62B3.561
H49OMe3.674
H48OMe3.674
H50OMe3.674
H53OMe3.714
H51OMe3.714
H52OMe3.714
H60G14.381
H61G24.541
H63A6.021
H54B66.771
H59A26.791
H55A66.821
H58B26.851
H56B56.901
H57A56.911