Lignin_cw_compound_131 (C19 H24 O7)

bmse010423 Data

Entry STAR file: bmse010423.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: 364.38966

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_131 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BB25.201
C2OMe55.904
C3OMe55.984
C10G61.091
C11BA70.011
C19A73.931
C18B89.031
C8B2109.351
C9A2109.541
C6A5114.421
C7B5118.411
C5B6120.171
C4A6120.231
C13A1131.561
C12B1141.901
C14A4145.571
C16A3146.721
C15B4146.781
C17B3150.991
H28BB1.461
H27BB1.461
H29BB1.461
H30OMe3.844
H31OMe3.844
H32OMe3.844
H33OMe3.864
H35OMe3.864
H34OMe3.864
H44BA4.821
H46A4.921
H38A57.031
C10G60.81
C19A72.81
C18B86.91
C13A1132.01

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BB26.211
C2OMe56.244
C3OMe56.314
C10G61.891
C11BA69.741
C19A73.951
C18B88.721
C8B2110.671
C9A2111.451
C6A5115.241
C7B5118.701
C5B6119.681
C4A6120.591
C13A1133.851
C12B1142.921
C14A4146.831
C16A3148.041
C15B4148.311
C17B3151.451
C10G61.91
C19A73.81
C18B86.91
C13A1134.31

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BB25.801
C2OMe55.354
C3OMe55.524
C10G60.021
C11BA67.781
C19A70.911
C18B84.741
C8B2109.791
C9A2110.981
C6A5114.571
C7B5115.621
C5B6117.241
C4A6118.931
C13A1132.891
C12B1140.441
C14A4145.311
C16A3146.871
C15B4146.871
C17B3149.311
C10G60.01
C19A71.61
C18B83.91
C13A1133.21