Lignin_cw_compound_2027 (C20 H20 O7)

bmse010469 Data

Entry STAR file: bmse010469.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_2027 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C12BB51.311
C17B51.671
C2A3OMe55.971
C1B3OMe56.111
C9BG71.631
C19A84.001
C18BA85.651
C7B2107.891
C8A2108.781
C6A5114.431
C5B5114.591
C3B6118.831
C4A6119.651
C11A1127.881
C10B1131.261
C14A4145.811
C13B4146.151
C16A3146.601
C15B3146.991
C20G174.511

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C12BB52.021
C17B52.431
C2A3OMe56.281
C1B3OMe56.351
C9BG72.081
C19A84.431
C18BA86.321
C7B2110.681
C8A2111.211
C6A5115.391
C5B5115.801
C3B6120.061
C4A6120.321
C11A1129.781
C10B1132.601
C14A4147.151
C13B4147.821
C16A3147.991
C15B3148.621
C20G174.931
H43B3.631
H42BB3.351
H45A5.051
H44BA5.231
H40BGcis3.882
H41BGtrans4.282

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C12BB50.421
C17B51.541
C2A3OMe55.811
C1B3OMe55.911
C9BG71.061
C19A83.071
C18BA85.451
C7B2110.881
C8A2110.961
C6A5115.281
C5B5115.541
C3B6119.271
C4A6119.481
C11A1128.411
C10B1130.801
C14A4146.241
C13B4147.031
C16A3147.351
C15B3147.961
C20G174.991