Lignin_cw_compound_2067 (C20 H22 O8)

bmse010320 Data

Entry STAR file: bmse010320.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: 390.38388

This is of the category: b-O-4 Dimers, 3-Carbon Sidechain, a-C=O

Concentration: Saturated (Source: Stephane Quideau)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_2067 image

Assigned chemical shifts

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.201
C2B3OMe56.111
C3OMe56.621
C4OMe56.621
C11G63.901
C18B84.041
C9A2106.561
C10A6106.561
C7B2113.671
C8B5117.031
C9B6121.611
C5B1123.241
C20A4133.991
C13A1134.391
C15B4148.261
C14B3151.031
C16A3153.251
C17A5153.251
C12AcC=O168.151
C19A196.771
H33B3OMe3.771
H32B3OMe3.771
H34B3OMe3.771
H35OMe3.851
H36OMe3.851
H37OMe3.851
H39OMe3.851
H40OMe3.851
H38OMe3.851
H47G4.101
H48G4.101
H50GOH4.281
H49B5.561
H45A27.491
H46A67.491
H42B66.801
H41B16.411
H44B56.411
H43B26.961