Lignin_cw_compound_3011 (C26 H28 O10)

bmse010338 Data

Entry STAR file: bmse010338.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_3011 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1GAcMe20.601
C3AAcMe20.681
C2A4AcMe20.941
C4OMe55.871
C5OMe55.901
C15G62.441
C26A73.551
C25B79.561
C13B2111.381
C14A2112.001
C10B5117.931
C9A6119.761
C11A5122.611
C8B6122.811
C6BB127.471
C19B1129.101
C20A1134.801
C21A4139.901
C22B4150.021
C23B3150.951
C24A3151.001
C7BA152.261
C17A4AcC=O168.741
C18AAcC=O169.571
C16GAcC=O170.651
C12BG193.431

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1GAcMe20.651
C3AAcMe20.791
C2A4AcMe21.101
C4OMe56.511
C5OMe56.651
C15G63.191
C26A74.571
C25B80.021
C13B2112.851
C14A2113.081
C10B5118.491
C9A6120.751
C11A5123.501
C8B6123.911
C6BB128.531
C19B1130.221
C20A1136.481
C21A4141.111
C22B4151.221
C23B3152.121
C24A3152.351
C7BA153.451
C17A4AcC=O169.091
C18AAcC=O170.071
C16GAcC=O170.881
C12BG194.101
H47OMe3.824
H46OMe3.824
H48OMe3.824
H49OMe3.904
H50OMe3.904
H51OMe3.904
H61G14.274
H62G24.374
H63B4.994
H64A6.074
H52BB6.791
H57A57.021
H55A67.071
H56B57.111
H60A27.231
H54B67.271
H59B27.381
H53BA7.581
H58BG9.651