Lignin_cw_compound_3052 (C20 H22 O7)

bmse010369 Data

Entry STAR file: bmse010369.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: 374.38448

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

Concentration: Saturated (Source: Sally Ralph)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_3052 image

Assigned chemical shifts

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1CH314.351
C4AOMe56.091
C2BOMe56.791
C3BOMe56.791
C5CH261.051
C7B2107.081
C8B6107.081
C11A2114.381
C10A5115.741
C12A119.071
C6B1123.371
C9A6125.091
C13A1126.761
C19B4136.271
C18B143.081
C17A3148.011
C14A4148.101
C15B3152.011
C16B5152.011
C20G163.741
H28CH31.111
H30CH31.111
H29CH31.111
H31BOMe3.741
H33BOMe3.741
H32BOMe3.741
H35BOMe3.741
H34BOMe3.741
H36BOMe3.741
H37AOMe3.761
H38AOMe3.761
H39AOMe3.761
H40CH24.061
H41CH24.061
H43B26.671
H44B66.671
H48A6.791
H46A56.821
H42B16.941
H45A67.291
H47A27.521