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_2043 (C22 H24 O8)

bmse010308 Data

Entry STAR file: bmse010308.str

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: Stephane Quideau)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

lignin_cw_compound_2043 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1CH313.861
C2OMe55.724
C3OMe55.784
C4CH261.331
C20A73.701
C21B82.291
C13A2109.631
C12B2111.091
C9A5113.931
C10B5115.991
C8A6119.801
C7B6122.721
C5BB127.151
C14B1128.791
C15A1130.891
C18A3145.481
C16A4146.361
C19B3149.721
C17B4150.111
C6BA152.381
C22G168.801
C11BG193.531

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
H31CH31.161
H32CH31.161
H33CH31.161
H34OMe3.854
H35OMe3.854
H36OMe3.854
H37OMe3.864
H38OMe3.864
H39OMe3.864
H40CH24.151
H41CH24.151
H52B4.811
H51a5.161
H42BB6.581
H43BA7.371
H48BG9.611
H53ArOH6.071