Lignin_cw_compound_2008 (C20 H18 O8)

bmse010290 Data

Entry STAR file: bmse010290.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: 386.35212

This is of the category: b-b Dimers

Concentration: Saturated (Source: Stephane Quideau)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_2008 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C41B48.391
C42B48.391
C1OMe56.131
C2OMe56.131
C17A81.901
C18A81.901
C72107.521
C82107.521
C55114.981
C65114.981
C36117.411
C46117.411
C91129.811
C101129.811
C114146.351
C124146.351
C133147.061
C143147.061
C19G174.941
C20G174.941

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C41B49.111
C42B49.111
C1OMe56.391
C2OMe56.391
C17A83.221
C18A83.221
C72110.401
C82110.401
C55116.001
C65116.001
C36119.571
C46119.571
C91130.821
C101130.821
C114148.171
C124148.171
C133148.721
C143148.721
C19G175.991
C20G175.991
H29OMe3.851
H30OMe3.851
H31OMe3.851
H32OMe3.851
H33OMe3.851
H34OMe3.851
H41B4.091
H42B4.091
H43A5.771
H44A5.771
H3756.861
H3856.861
H3566.921
H3666.921
H3927.051
H4027.051
H454OH7.901
H464OH7.901

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C41B48.111
C42B48.111
C1OMe55.811
C2OMe55.811
C17A82.061
C18A82.061
C72110.641
C82110.641
C55115.461
C65115.461
C36119.221
C46119.221
C91129.001
C101129.001
C114147.361
C124147.361
C133147.881
C143147.881
C19G175.401
C20G175.401