Lignin_cw_compound_2031 (C20 H18 O8)

bmse010300 Data

Entry STAR file: bmse010300.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_2031 image

Assigned chemical shifts

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe56.051
C2OMe56.051
C92113.511
C102113.511
C55115.931
C65115.931
C36125.601
C46125.601
C13B126.151
C14B126.151
C111127.941
C121127.941
C7A142.261
C5A142.261
C173148.191
C183148.191
C154149.251
C164149.251
C19G168.461
C20G168.461
H30OMe3.741
H31OMe3.741
H29OMe3.741
H33OMe3.741
H34OMe3.741
H32OMe3.741
H3756.781
H3856.781
H3567.111
H3667.111
H4127.311
H4227.311
H39A7.831
H40A7.831

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe55.281
C2OMe55.281
C92113.231
C102113.231
C55115.471
C65115.471
C36124.111
C46124.111
C13B125.121
C14B125.121
C111126.131
C121126.131
C7A140.401
C5A140.401
C173147.291
C183147.291
C154148.371
C164148.371
C19G168.061
C20G168.061