Lignin_cw_compound_1025 (C33 H34 O12)

bmse010279 Data

Entry STAR file: bmse010279.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: More Trimers Containing Ferulic, Coumaric or p-OH-Benzoic Acid

Concentration: Saturated (Source: Richard F. Helm)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_1025 image

Assigned chemical shifts

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.464
C2AcMe20.594
C3AcMe20.934
C4OMe56.204
C5OMe56.304
C6OMe56.444
C19G63.611
C31A75.401
C33B80.701
C17C2112.611
C18A2112.701
C9B2113.751
C16CB118.031
C10B5119.231
C13A6120.341
C8B6121.681
C11C6122.521
C15A5123.641
C7B1123.721
C14C5124.201
C23C1134.041
C24A1136.771
C28A4140.831
C27C4142.981
C12CA146.461
C26B4149.081
C25B3151.841
C30A3152.301
C29C3152.761
C32CG164.971
C20AcC=O168.794
C21AcC=O170.014
C22AcC=O170.694
H12CA7.811
H16CB6.771
H79A6.141
H78B4.811
H76G14.281
H77G24.041