Lignin_cw_compound_3056 (C20 H22 O7)

bmse010371 Data

Entry STAR file: bmse010371.str

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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:

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Lignin_cw_compound_3056 image

Assigned chemical shifts

Solvent: Acetone-d6
Atom IDAuthor NomenclatureValueAmbiguity Code
C1CH314.191
C2BOMe56.301
C2AOMe56.371
C4AOMe56.371
C5CH261.581
C10A2109.091
C11A6109.091
C8B2113.721
C9B5114.151
C7B6121.491
C6B1123.241
C13A1124.121
C12A127.991
C18B138.781
C19A4138.941
C15B4146.941
C16A3148.501
C17A5148.501
C14B3149.871
C20G164.061
H28CH31.211
H30CH31.211
H29CH31.211
H34AOMe3.731
H36AOMe3.731
H35AOMe3.731
H39AOMe3.731
H38AOMe3.731
H37AOMe3.731
H32BOMe3.901
H31BOMe3.901
H33BOMe3.901
H40CH24.201
H41CH24.201
H45B56.721
H43B66.791
H42B16.941
H44B27.061
H46A27.161
H47A67.161
H48A7.331