Lignin_cw_compound_1026 (C33 H34 O12)

bmse010280 Data

Entry STAR file: bmse010280.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_1026 image

Assigned chemical shifts

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.464
C2AcMe20.604
C3AcMe20.864
C4OMe56.204
C5OMe56.274
C6OMe56.444
C19G63.001
C31A74.601
C33B80.321
C17C2112.601
C18A2112.771
C9B2113.791
C16CB118.061
C10B5119.821
C13A6120.451
C8B6121.641
C11C6122.521
C15A5123.441
C7B1124.061
C14C5124.201
C23C1134.041
C24A1136.771
C28A4140.701
C27C4142.971
C12CA146.441
C26B4148.271
C25B3152.061
C30A3152.191
C29C3152.761
C32CG165.001
C20AcC=O168.804
C21AcC=O169.924
C22AcC=O170.764
H12CA7.811
H16CB6.781
H79A6.101
H78B4.851
H76G14.391
H77G24.241