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_2040 (C20 H18 O8)

bmse010305 Data

Entry STAR file: bmse010305.str

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

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

Natural Isotopic formula weight: 386.35212

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_2040 image

Assigned chemical shifts

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1A3OMe55.921
C2B3OMe56.471
C9B2112.391
C10A2113.771
C7B5114.391
C6A5115.961
C8BB117.501
C4B6122.921
C13A1125.311
C3A6126.061
C11A128.491
C12B1130.101
C18B138.281
C5BA145.251
C16A3148.301
C15B4148.901
C14A4149.461
C17B3150.231
C20G164.511
C19BG167.911
H29A3OMe3.731
H30A3OMe3.731
H31A3OMe3.731
H32B3OMe4.001
H33B3OMe4.001
H34B3OMe4.001
H40BB6.431
H38A56.821
H39B56.831
H36B67.131
H35A67.231
H43A7.421
H41B27.441
H42A27.521
H37BA7.591

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1A3OMe55.091
C2B3OMe55.861
C9B2111.551
C10A2112.981
C7B5113.301
C6A5115.531
C8BB117.521
C4B6122.021
C13A1123.441
C3A6124.621
C11A127.091
C12B1128.741
C18B137.011
C5BA143.711
C16A3147.241
C15B4147.421
C14A4148.591
C17B3148.591
C20G164.111
C19BG167.701