Lignin_cw_compound_1022 (C33 H34 O12)

bmse010276 Data

Entry STAR file: bmse010276.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_1022 image

Assigned chemical shifts

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.454
C2AcMe20.454
C3AcMe20.894
C4OMe56.194
C5OMe56.284
C6OMe56.404
C19G63.331
C33A74.701
C31B80.501
C17C2112.441
C18A2112.741
C9B2113.771
C16CB118.631
C10B5119.971
C13A6120.441
C8B6121.651
C11C6122.251
C15A5123.381
C7B1124.411
C14C5124.411
C23C1134.111
C24A1136.731
C28A4140.791
C27C4142.741
C12CA145.161
C26B4148.301
C25B3152.101
C30A3152.121
C29C3152.671
C32CG166.671
C20AcC=O168.804
C21AcC=O168.904
C22AcC=O169.944
H76G14.401
H77G24.491
H78B4.921
H79A6.131
H73CB6.481
H69CA7.531