Lignin_cw_compound_135 (C20 H26 O7)

bmse010070 Data

Entry STAR file: bmse010070.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: Sally Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_135 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BB25.301
C7A37.321
C2AOMe55.941
C3BOMe56.111
C4BOMe56.111
C11G62.311
C12BA70.421
C15B84.521
C9B2102.451
C10B6102.451
C8A2112.311
C6A5114.271
C5A6122.101
C13A1130.131
C14B1134.641
C20B4142.091
C16A4144.071
C17A3146.381
C18B3153.291
C19B5153.291
H29BB1.471
H28BB1.471
H30BB1.471
H42A12.971
H43A23.201
H34BOMe3.851
H35BOMe3.851
H36BOMe3.851
H39BOMe3.851
H37BOMe3.851
H38BOMe3.851
H31AOMe3.831
H32AOMe3.831
H33AOMe3.831
H49BA4.821
H50B4.181
H45B26.611
H46B66.611
H40A66.741
H44A26.801
H41A56.821

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BB26.261
C7A38.031
C2AOMe56.231
C3BOMe56.441
C4BOMe56.441
C11G62.841
C12BA70.041
C15B85.301
C9B2103.531
C10B6103.531
C8A2113.931
C6A5115.511
C5A6122.801
C13A1130.801
C14B1135.571
C20B4144.151
C16A4145.801
C17A3148.041
C18B3154.081
C19B5154.081

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BB25.811
C7A36.771
C2AOMe55.461
C3BOMe55.741
C4BOMe55.741
C11G61.581
C12BA68.131
C15B83.401
C9B2102.501
C10B6102.501
C8A2113.551
C6A5115.011
C5A6121.571
C13A1129.241
C14B1133.951
C20B4142.831
C16A4144.551
C17A3147.031
C18B3152.611
C19B5152.611