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_3007 (C26 H28 O10)

bmse010497 Data

Entry STAR file: bmse010497.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: 500.49452

This is of the category: b-1 Dimers

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

lignin_cw_compound_3007 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.604
C3AcMe20.794
C4AcMe20.964
C21B50.131
C5OMe55.851
C6OMe55.851
C14G63.961
C26A74.761
C1G'107.761
C12A2111.651
C11B2113.151
C8A6119.351
C7B6121.121
C10A5121.611
C9B5122.451
C19B1135.711
C20A1136.321
C23B4139.101
C22A4142.551
C24B3150.751
C25A3150.751
C15B'157.841
C17B4AcC=O168.791
C18AAcC=O169.701
C16GAcC=O170.691
C13A'186.741

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.434
C3AcMe20.664
C4AcMe20.834
C21B51.071
C5OMe56.124
C6OMe56.224
C14G64.821
C26A75.381
C1G'108.011
C12A2122.681
C11B2114.441
C8A6120.171
C7B6122.121
C10A5122.141
C9B5123.161
C19B1137.411
C20A1138.171
C23B4140.071
C22A4143.241
C24B3151.761
C25A3151.811
C15B'159.331
C17B4AcC=O168.911
C18AAcC=O169.941
C16GAcC=O170.711
C13A'187.551
H39GAcMe1.941
H40GAcMe1.941
H41GAcMe1.941
H45AAcMe2.001
H46AAcMe2.001
H47AAcMe2.001
H42ArAcMe2.071
H43ArAcMe2.071
H44ArAcMe2.071
H63B3.501
H48OMe3.694
H49OMe3.694
H50OMe3.694
H51OMe3.764
H52OMe3.764
H53OMe3.764
H61G14.221
H62G24.381
H37G1'5.001
H38G2'5.381
H26A6.191
H54B66.811
H59A26.881
H55A66.891
H56B56.941
H57A56.971
H59A26.991
H32a'9.451