Lignin_cw_compound_276 (C21 H22 O8)

bmse010185 Data

Entry STAR file: bmse010185.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: 402.39458

This is of the category: 5-5 Dimers

Concentration: Saturated (Source: Forest Products Laboratory)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_276 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G10.061
C3A4AcMe20.561
C2AAAcMe21.281
C6B29.331
C5AOMe56.261
C4BOMe56.531
C17A77.291
C18B2107.401
C8A2112.231
C7A6120.361
C16A5126.861
C9B6135.671
C21A4137.301
C13A1139.151
C15B5141.951
C19A3151.441
C18B3158.881
C12A4AcC=O168.191
C11AAAcC=O170.441
C20B4179.901
C14B1186.981
H31G0.931
H30G0.931
H32G0.931
H45B1.861
H46B1.861
H34AAAcMe2.101
H33AAAcMe2.101
H35AAAcMe2.101
H44A4AcMe2.181
H43A4AcMe2.181
H42A4AcMe2.181
H44AOMe3.861
H43AOMe3.861
H42AOMe3.861
H51A5.661
H50B25.991
H49B66.701
H47A66.811
H48A27.001

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G10.221
C3A4AcMe20.311
C2AAAcMe21.021
C6B30.131
C5AOMe56.551
C4BOMe56.911
C17A77.011
C18B2108.001
C8A2112.421
C7A6120.651
C16A5128.451
C9B6135.941
C21A4138.051
C13A1140.401
C15B5142.791
C19A3152.381
C18B3159.981
C12A4AcC=O168.421
C11AAAcC=O170.381
C20B4180.401
C14B1187.461
H31G0.911
H30G0.911
H32G0.911
H45B1.881
H46B1.881
H34AAAcMe2.061
H33AAAcMe2.061
H35AAAcMe2.061
H44A4AcMe2.111
H43A4AcMe2.111
H42A4AcMe2.111
H44AOMe3.871
H43AOMe3.871
H42AOMe3.871
H31BOMe3.891
H30BOMe3.891
H32BOMe3.891
H51A5.681
H50B26.101
H49B66.591
H47A66.941
H48A27.191

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G9.841
C3A4AcMe20.131
C2AAAcMe20.881
C6B28.851
C5AOMe56.151
C4BOMe56.601
C17A75.821
C18B2107.331
C8A2111.631
C7A6119.581
C16A5127.001
C9B6134.851
C21A4136.351
C13A1139.081
C15B5141.151
C19A3150.831
C18B3158.741
C12A4AcC=O167.881
C11AAAcC=O169.951
C20B4179.511
C14B1186.801