BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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lignin_cw_compound_1007 (C33 H34 O12)

bmse010261 Data

Entry STAR file: bmse010261.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_1007 image

Assigned chemical shifts

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.444
C2AcMe20.444
C3AcMe20.604
C4OMe56.164
C5OMe56.324
C6OMe56.404
C19G63.701
C31A75.821
C33B80.881
C17C2112.421
C18A2112.721
C9B2113.651
C16CB118.851
C10B5119.301
C13A6120.301
C8B6121.651
C11C6122.271
C15A5123.611
C7B1123.771
C14C5124.121
C23C1134.151
C24A1136.771
C28A4140.951
C27C4142.761
C12CA145.361
C26B4149.131
C25B3151.881
C30A3152.241
C29C3152.671
C32CG165.961
C20AcC=O168.794
C21AcC=O168.864
C22AcC=O170.694
H76G14.091
H77G24.301
H78B4.891
H79A6.241
H73CB6.561
H69CA7.601