Lignin_cw_compound_286 (C21 H28 O4)

bmse010193 Data

Entry STAR file: bmse010193.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: 344.44462

This is of the category: 5-O-4 Dimers

Concentration: Saturated (Source: Sally Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_286 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AG13.671
C1BG13.781
C7AB24.421
C6BB24.571
C8BA37.801
C9AA37.991
C3OMe55.954
C4OMe56.044
C5A4OMe60.941
C13A2107.181
C14A6111.161
C12B2113.011
C11B5119.201
C10B6120.551
C21A4137.701
C16A1138.191
C15B1138.631
C17B4143.821
C18B3150.371
C20A5150.481
C19A3153.271
H26G0.884
H28G0.884
H27G0.884
H29G0.954
H30G0.954
H31G0.954
H43AB1.551
H44AB1.551
H41BB1.651
H42BB1.651
H47AA2.431
H48AA2.431
H45BA2.561
H46BA2.561
H33B3OMe3.831
H32B3OMe3.831
H34B3OMe3.831
H37A3OMe3.871
H35A3OMe3.871
H36A3OMe3.871
H40A4OMe3.871
H38A4OMe3.871
H39A4OMe3.871
H53A66.261
H52A26.471
H49B66.681
H51B26.791
H50B56.791

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AG13.931
C1BG14.041
C7AB25.261
C6BB25.391
C8BA38.361
C9AA38.581
C3OMe56.244
C4OMe56.384
C5A4OMe60.671
C13A2108.191
C14A6111.121
C12B2114.371
C11B5120.541
C10B6121.411
C21A4138.591
C16A1138.861
C15B1139.801
C17B4144.641
C18B3151.821
C20A5151.941
C19A3154.671
H29AG0.851
H30AG0.851
H31AG0.851
H26BG0.931
H28BG0.931
H27BG0.931
H43AB1.521
H44AB1.521
H41BB1.641
H42BB1.641
H47AA2.411
H48AA2.411
H45BA2.571
H46BA2.571
H33A4OMe3.741
H32A4OMe3.741
H34A4OMe3.741
H37B3OMe3.781
H35B3OMe3.781
H36B3OMe3.781
H40A3OMe3.831
H38A3OMe3.831
H39A3OMe3.831
H53A66.171
H52A26.581
H49B66.721
H50B56.781
H51B26.951

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AG13.541
C1BG13.701
C7AB24.081
C6BB24.181
C8BA37.081
C9AA37.281
C3OMe55.704
C4OMe55.884
C5A4OMe60.211
C13A2107.361
C14A6109.831
C12B2113.431
C11B5119.391
C10B6120.501
C21A4136.891
C16A1137.901
C15B1138.711
C17B4142.891
C18B3150.311
C20A5150.311
C19A3153.261
H26G0.824
H28G0.824
H27G0.824
H29G0.904
H30G0.904
H31G0.904
H43B1.474
H44B1.474
H41B1.604
H42B1.604
H47AA2.371
H48AA2.371
H45BA2.531
H46BA2.531
H33A4OMe3.671
H32A4OMe3.671
H34A4OMe3.671
H37B3OMe3.731
H35B3OMe3.731
H36B3OMe3.731
H40A3OMe3.791
H38A3OMe3.791
H39A3OMe3.791
H53A66.091
H52A26.581
H49B66.701
H50B56.751
H51B26.941