Lignin_cw_compound_31 (C19 H24 O6)

bmse010387 Data

Entry STAR file: bmse010387.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: 348.39026

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

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_31 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BB25.031
C2OMe55.881
C3OMe55.881
C11G61.061
C12BA69.741
C19A73.471
C18B82.921
C10A2110.001
C9A5111.001
C7B3116.351
C8B5116.351
C6A6119.261
C4B2126.841
C5B6126.841
C14A1132.461
C13B1139.261
C17A3148.811
C16A4148.981
C15B4157.451
C11G61.461
C19A73.881
C18B82.001

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BB26.151
C2OMe55.994
C3OMe56.044
C11G61.601
C12BA69.481
C19A73.181
C18B84.041
C10A2111.731
C9A5112.181
C7B3116.611
C8B5116.611
C6A6119.841
C4B2127.141
C5B6127.141
C14A1135.411
C13B1140.441
C17A3149.531
C16A4149.911
C15B4158.871
C11G61.941
C19A73.811
C18B83.671

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BB25.811
C2OMe55.304
C3OMe55.404
C11G59.921
C12BA67.571
C19A70.771
C18B82.981
C10A2110.571
C9A5111.171
C7B3115.341
C8B5115.341
C6A6118.621
C4B2126.151
C5B6126.151
C14A1134.781
C13B1139.271
C17A3147.691
C16A4148.131
C15B4157.621
H28BB1.281
H26BB1.281
H27BB1.281
H31OMe3.711
H30OMe3.711
H29OMe3.711
H34OMe3.711
H33OMe3.711
H32OMe3.711
H46A5.361
C11G59.921
C19A71.371
C18B82.981