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_3058 (C30 H26 O9)

bmse010372 Data

Entry STAR file: bmse010372.str

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

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

Natural Isotopic formula weight: 530.52204

This is of the category: Trimers Containing Ferulic or Coumaric Acid

Concentration: Saturated (Source: Sally Ralph)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

lignin_cw_compound_3058 image

Assigned chemical shifts

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AOMe55.931
C3BOMe56.141
C2COMe56.501
C15C2112.551
C16A2113.951
C17B2114.871
C11B5115.181
C10C5115.421
C9A5116.261
C7C6123.591
C21A1125.211
C8B6125.591
C6A6126.781
C22B1128.031
C4CB128.381
C20C1130.351
C14BA137.151
C13AA138.311
C23AB147.521
C28A3148.461
C27B4148.471
C24BB148.511
C29C4148.721
C30B3149.911
C29C3150.351
C25A4150.581
C5CA153.131
C18AG187.431
C19BG187.651
C12CG193.911
H40AOMe3.691
H41AOMe3.691
H42AOMe3.691
H46BOMe3.831
H47BOMe3.831
H48BOMe3.831
H43COMe3.981
H44COMe3.981
H45COMe3.981
H49CB6.701
H56B56.791
H55C56.821
H54A56.851
H52C67.151
H53B67.281
H51A67.301
H58AA7.301
H59BA7.331
H60C27.481
H61A27.521
H50CA7.581
H62B27.671
H34AOH8.371
H63AG9.481
H64BG9.531
H57CG9.651