Lignin_cw_compound_1021 (C33 H34 O12)

bmse010275 Data

Entry STAR file: bmse010275.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: 622.61586

This is of the category: Trimers Containing Ferulic or Coumaric Acid

Concentration: Saturated (Source: Richard F. Helm)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_1021 image

Assigned chemical shifts

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.454
C2AcMe20.454
C3AcMe20.954
C4OMe56.204
C5OMe56.294
C6OMe56.424
C19G63.961
C33A75.571
C31B80.881
C17C2112.451
C18A2112.691
C9B2113.731
C16CB118.641
C10B5119.331
C13A6120.321
C8B6121.691
C11C6122.301
C15A5123.601
C7B1123.801
C14C5124.121
C23C1134.131
C24A1136.691
C28A4140.921
C27C4142.761
C12CA145.201
C26B4149.101
C25B3151.891
C30A3152.231
C29C3152.681
C32CG166.681
C20AcC=O168.824
C21AcC=O168.894
C22AcC=O170.054
H76G14.161
H77G24.401
H78B4.881
H79A6.181
H73CB6.551
H69CA7.541