Lignin_cw_compound_2 (C21 H28 O8)

bmse010021 Data

Entry STAR file: bmse010021.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: 408.44222

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

Concentration: Saturated (Source: Sally Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_2 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BB25.451
C2OMe55.871
C3OMe55.871
C4BOMe56.081
C5BOMe56.081
C11G60.481
C12BA70.111
C20A73.981
C19B88.941
C9B2102.251
C10B6102.251
C8A2110.281
C7A5111.021
C6A6119.801
C13A1132.561
C14B1134.081
C21B4143.041
C15A4148.731
C16A3148.901
C18B3152.841
C17B5152.841
H30Bb1.451
H31Bb1.451
H32Bb1.451
H33OMe3.854
H34OMe3.854
H35OMe3.854
H36OMe3.854
H37OMe3.854
H38OMe3.854
H39OMe3.874
H40OMe3.874
H41OMe3.874
H42OMe3.894
H43OMe3.894
H44OMe3.894
H52Ba4.811
H54a5.021
H48B26.631
H49B66.631
H47A26.91
H46A56.831
H45A66.91

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BB26.231
C2OMe55.971
C3OMe56.031
C4BOMe56.441
C5BOMe56.441
C11G61.261
C12BA69.931
C20A73.891
C19B89.581
C9B2103.301
C10B6103.301
C8A2111.781
C7A5112.181
C6A6120.221
C13A1134.741
C14B1135.391
C21B4144.541
C15A4149.581
C16A3149.861
C18B3153.521
C17B5153.521

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BB25.861
C2OMe55.311
C3OMe55.431
C4BOMe55.801
C5BOMe55.801
C11G60.131
C12BA68.171
C20A71.361
C19B87.101
C9B2102.501
C10B6102.501
C8A2110.601
C7A5111.081
C6A6118.841
C13A1134.531
C14B1134.531
C21B4143.011
C15A4147.641
C16A3148.031
C18B3152.201
C17B5152.201