Lignin_cw_compound_34 (C20 H26 O7)

bmse010390 Data

Entry STAR file: bmse010390.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: 378.41624

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_34 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BB25.221
C2OMe55.921
C3OMe55.921
C4OMe55.921
C11G61.081
C12BA69.981
C20A73.841
C19B89.011
C9B2109.331
C10A2110.031
C7A5111.101
C8B5118.401
C5B6119.561
C6A6120.221
C14A1132.231
C12B1141.941
C16B4146.761
C17A3148.901
C15A4149.081
C18B3151.001
H28BB1.461
H29BB1.461
H30BB1.461
H31OMe3.861
H32OMe3.861
H33OMe3.861
H34OMe3.861
H35OMe3.861
H36OMe3.861
H37OMe3.861
H38OMe3.861
H39OMe3.861
H48BA4.831
H20A4.941
H19B4.011
H46G13.461
H47G23.601
C11G60.821
C20A72.781
C19B87.011

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BB26.101
C2OMe55.934
C3OMe56.014
C4OMe56.174
C11G61.681
C12BA69.661
C20A73.621
C19B88.121
C9B2110.461
C10A2111.671
C7A5112.141
C8B5118.581
C5B6119.221
C6A6119.991
C14A1134.871
C12B1142.611
C16B4148.031
C17A3149.541
C15A4149.871
C18B3151.201
C11G61.681
C20A73.621
C19B86.501

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BB25.831
C2OMe55.204
C3OMe55.414
C4OMe55.524
C11G59.961
C12BA67.791
C20A70.721
C19B84.561
C9B2109.791
C10A2110.651
C7A5111.081
C8B5115.571
C5B6117.241
C6A6118.591
C14A1134.501
C12B1140.501
C16B4146.781
C17A3147.681
C15A4148.071
C18B3149.331
C11G59.961
C20A71.511
C19B83.821