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_3068 (C20 H22 O7)

bmse010381 Data

Entry STAR file: bmse010381.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: 374.38448

This is of the category: 5-Hyroxyconiferyl alcohol b-O-4 Dimers, 3-Carbon Sidechain

Concentration: Saturated (Source: Sally Ralph)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

lignin_cw_compound_3068 image

Assigned chemical shifts

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C2B3-OMe56.21
C1A3-OMe56.21
C11AG61.91
C7BG63.61
C19AA76.71
C18AB79.31
C8B2103.21
C9B6108.51
C10A2111.71
C6A5115.71
C5A6121.41
C3BB129.01
C13A1129.11
C4BA130.11
C12B1130.31
C20B4133.71
C17B5145.21
C14A4147.81
C15A3148.31
C16B3149.81
H43AG13.501
H44AG23.761
H31B3OMe3.851
H32B3OMe3.851
H33B3OMe3.851
H28A3OMe3.851
H29A3OMe3.851
H30A3OMe3.851
H45AB4.051
H38BG4.201
H39BG4.201
H46AA4.961
H35BA6.261
H34BB6.471
H41B66.681
H37A56.871
H36A66.951
H42A27.101