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_2044 (C22 H24 O8)

bmse010477 Data

Entry STAR file: bmse010477.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: 416.42116

This is of the category: b-O-4 Dimers, 3-Carbon Sidechain

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

lignin_cw_compound_2044 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1CH313.731
C2OMe55.674
C3OMe55.824
C4CH261.281
C20A74.491
C21B83.431
C13A2109.511
C12B2110.981
C9A5114.021
C10B5115.561
C8A6119.911
C7B6122.721
C5BB127.191
C14B1128.791
C15A1129.941
C18A3145.731
C16A4146.551
C19B3149.741
C17B4149.921
C6BA152.321
C22G168.731
C11BG193.531

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
H33CH31.081
H31CH31.081
H32CH31.081
H34OMe3.854
H36OMe3.854
H35OMe3.854
H38OMe3.874
H37OMe3.874
H39OMe3.874
H40CH24.0751
H41CH24.0751
H52B4.671
H51A5.101
H42BB6.591
H43BA7.381
H48BG9.621
H53ArOH6.101