Lignin_cw_compound_2029 (C20 H20 O7)

bmse010471 Data

Entry STAR file: bmse010471.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: 372.3686

This is of the category: b-b Dimers

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_2029 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C12BB49.991
C17B53.311
C2A3OMe56.021
C1B3OMe56.081
C9BG72.701
C19A83.381
C18BA84.591
C8A2107.771
C7B2108.111
C6A5114.421
C5B5114.711
C4A6118.021
C3B6118.401
C10B1131.111
C11A1132.311
C14A4145.341
C13B4146.071
C16A3146.731
C15B3146.941
C20G176.921

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C12BB50.381
C17B53.711
C2A3OMe50.261
C1B3OMe50.341
C9BG73.441
C19A84.431
C18BA85.781
C8A2110.351
C7B2110.451
C6A5115.641
C5B5115.871
C4A6119.301
C3B6119.661
C10B1132.471
C11A1133.171
C14A4147.121
C13B4147.801
C16A3148.351
C15B3148.631
C20G177.721
H43B3.651
H42BB3.391
H45A5.201
H44BA5.391
H40BGcis4.302
H41BGtrans4.022

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C12BB48.621
C17B52.321
C2A3OMe55.611
C1B3OMe55.711
C9BG72.151
C19A82.911
C18BA84.831
C8A2110.301
C7B2110.541
C6A5115.161
C5B5115.341
C4A6118.501
C3B6118.881
C10B1130.581
C11A1131.081
C14A4146.191
C13B4146.851
C16A3147.551
C15B3147.731
C20G177.141