Lignin_cw_compound_2011 (C28 H32 O11)

bmse010292 Data

Entry STAR file: bmse010292.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: 544.54708

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

Concentration: Saturated (Source: Stephane Quideau)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_2011 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C3A4AcMe20.631
C4AAcMe20.681
C2GAcMe20.991
C1BGAcMe21.021
C6A3OMe55.811
C5B3OMe55.931
C16G63.021
C13BG65.081
C28A74.401
C27B80.191
C14B2110.171
C15A2111.661
C11B5118.311
C10A6119.541
C9B6119.821
C7BB122.131
C10A5122.831
C21B1131.541
C8BA133.871
C22A1135.181
C23A4139.921
C24B4148.021
C25B3150.711
C26A3151.121
C19A4AcC=O168.761
C20AAcC=O169.651
C17GAcC=O170.541
C18BGAcC=O170.841

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C3A4AcMe20.441
C4AAcMe20.581
C2GAcMe20.781
C1BGAcMe20.911
C6A3OMe56.241
C5B3OMe56.291
C16G63.561
C13BG65.361
C28A75.321
C27B80.561
C14B2111.311
C15A2112.641
C11B5118.741
C10A6120.301
C9B6120.541
C7BB123.261
C10A5123.561
C21B1132.351
C8BA134.161
C22A1136.611
C23A4140.921
C24B4149.091
C25B3151.751
C26A3152.221
C19A4AcC=O168.891
C20AAcC=O170.001
C17GAcC=O170.681
C18BGAcC=O170.771

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C3A4AcMe20.381
C4AAcMe20.461
C2GAcMe20.751
C1BGAcMe20.721
C6A3OMe55.671
C5B3OMe55.841
C16G62.491
C13BG64.451
C28A74.281
C27B78.951
C14B2110.221
C15A2111.651
C11B5116.991
C10A6119.461
C9B6119.561
C7BB122.351
C10A5122.741
C21B1130.641
C8BA132.991
C22A1135.401
C23A4139.231
C24B4147.561
C25B3150.091
C26A3150.731
C19A4AcC=O168.481
C20AAcC=O169.451
C17GAcC=O170.051
C18BGAcC=O170.211