BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

lignin_cw_compound_22 (C18 H20 O7)

bmse010013 Data

Entry STAR file: bmse010013.str

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

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

Natural Isotopic formula weight: 348.3472

This is of the category: b-O-4 Dimers, 2-Carbon Sidechain

Concentration: Saturated (Source: John Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

lignin_cw_compound_22 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BOMe56.091
C2BOMe56.091
C3AOMe56.481
C4AOMe56.481
C10B75.451
C6B2105.331
C7B6105.331
C8A2106.071
C9A6106.071
C5B1124.201
C11A1126.681
C18B4136.481
C17A4139.891
C15A3146.741
C16A5146.741
C13B3153.301
C14B5153.301
C12A193.611
H26OMe3.824
H27OMe3.824
H28OMe3.824
H29OMe3.824
H30OMe3.824
H31OMe3.824
H32OMe3.944
H33OMe3.944
H34OMe3.944
H35OMe3.944
H36OMe3.944
H37OMe3.944
H43B5.111
H44B5.111
H41A27.431
H42A67.431
H39B26.591
H40B66.591
H38B17.031

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BOMe56.421
C2BOMe56.421
C3AOMe56.721
C4AOMe56.721
C10B75.901
C6B2106.471
C7B6106.471
C8A2107.451
C9A6107.451
C5B1124.871
C11A1127.091
C18B4137.551
C17A4142.151
C15A3148.391
C16A5148.391
C13B3154.431
C14B5154.431
C12A193.691

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BOMe55.821
C2BOMe55.821
C3AOMe56.031
C4AOMe56.031
C10B74.391
C6B2105.521
C7B6105.521
C8A2105.971
C9A6105.971
C5B1123.841
C11A1124.921
C18B4135.851
C17A4141.141
C15A3147.501
C16A5147.501
C13B3152.851
C14B5152.851
C12A192.751