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_1005 (C32 H32 O11)

bmse010038 Data

Entry STAR file: bmse010038.str

Authors: Sally Ralph, John Ralph, Larry L. Landucci

From: NMR Database of Lignin and Cell Wall Model Compounds.

Natural Isotopic formula weight: 592.58988

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_1005 image

Assigned chemical shifts

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.444
C2AcMe20.604
C3AcMe20.944
C4OMe56.164
C5OMe56.324
C19G63.701
C32A75.811
C30B80.871
C18A2112.711
C8B2113.661
C17CB118.761
C9B5119.331
C13A6120.311
C7B6121.651
C14C3123.211
C15C5123.211
C16A5123.611
C6B1123.781
C10C2130.221
C11C6130.221
C23C1132.821
C24A1136.741
C28A4140.951
C12CA144.911
C27B4149.121
C26B3151.891
C29A3152.241
C25C4153.521
C31CG165.901
C20AcC=O168.864
C21AcC=O169.424
C22AcC=O170.694
H72G14.081
H73G24.311
H74B4.891
H75A6.241
H70CB6.521
H65CA7.631