Lignin_cw_compound_3010 (C26 H28 O10)

bmse010337 Data

Entry STAR file: bmse010337.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: 500.49452

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_3010 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1GAcMe20.601
C3AAcMe20.681
C2A4AcMe20.941
C4OMe55.901
C5OMe55.981
C15G62.811
C26A74.141
C25B79.671
C13B2111.281
C14A2111.581
C10B5117.361
C9A6119.481
C11A5122.711
C8B6122.891
C6BB127.401
C19B1128.881
C20A1134.871
C21A4140.011
C22B4150.721
C23B3150.681
C24A3151.161
C7BA152.261
C17A4AcC=O168.721
C18AAcC=O169.411
C16GAcC=O170.481
C12BG193.431

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1GAcMe20.431
C3AAcMe20.571
C2A4AcMe20.881
C4OMe56.301
C5OMe56.411
C15G63.451
C26A75.191
C25B80.261
C13B2112.561
C14A2112.661
C10B5117.851
C9A6120.341
C11A5123.611
C8B6123.761
C6BB128.231
C19B1129.891
C20A1136.401
C21A4140.991
C22B4151.731
C23B3151.731
C24A3152.261
C7BA153.291
C17A4AcC=O168.871
C18AAcC=O169.851
C16GAcC=O170.661
C12BG193.611
H39AcMe2.014
H37AcMe2.014
H38AcMe2.014
H41AcMe2.084
H40AcMe2.084
H42AcMe2.084
H45AcMe2.214
H44AcMe2.214
H43AcMe2.214
H47OMe3.824
H46OMe3.824
H48OMe3.824
H49OMe3.914
H50OMe3.914
H51OMe3.914
H61G14.071
H62G24.281
H63B4.961
H64A6.111
H52BB6.701
H57A57.031
H55A67.081
H56B57.151
H60A27.241
H54B67.251
H59B27.401
H53BA7.591
H58BG9.661