Lignin_cw_compound_172 (C25 H28 O10)

bmse010430 Data

Entry STAR file: bmse010430.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: 488.48382

This is of the category: b-1 Dimers

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_172 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.634
C2AcMe20.634
C3AcMe20.794
C4AcMe20.964
C20B50.091
C5OMe55.881
C6OMe55.881
C13G64.021
C25A74.871
C12A2111.241
C11B2113.321
C8A6119.131
C7B6120.981
C9B5122.461
C10A5122.581
C18B1135.771
C19A1136.911
C21B4139.041
C22A4139.581
C23B3150.711
C24A3150.861
C15AcC=O168.764
C16AcC=O168.844
C17AAcC=O169.631
C14GAcC=O170.741

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.454
C2AcMe20.454
C3AcMe20.674
C4AcMe20.844
C20B50.971
C5OMe56.201
C6OMe56.201
C13G64.861
C25A75.561
C12A2112.071
C11B2114.491
C8A6119.711
C7B6121.911
C9B5123.121
C10A5123.291
C18B1137.411
C19A1138.701
C21B4140.021
C22A4140.481
C23B3151.781
C24A3151.971
C15AcC=O168.884
C16AcC=O168.944
C17AAcC=O169.641
C14GAcC=O170.741
H37AcMe1.934
H36AcMe1.934
H38AcMe1.934
H40AcMe1.984
H39AcMe1.984
H41AcMe1.984
H44AcMe2.214
H42AcMe2.214
H43AcMe2.214
H46AcMe2.224
H47AcMe2.224
H45AcMe2.224
H62B3.521
H60G14.211
H61G24.381
H63A6.181
C20B50.701
C13G64.711
C25A76.501

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.284
C2AcMe20.284
C3AcMe20.444
C4AcMe20.534
C20B49.081
C5OMe55.601
C6OMe55.601
C13G63.941
C25A74.491
C12A2111.001
C11B2113.381
C8A6118.691
C7B6120.711
C9B5122.151
C10A5122.381
C18B1136.551
C19A1137.521
C21B4138.151
C22A4138.711
C23B3150.141
C24A3150.401
C15AcC=O168.321
C16AcC=O168.321
C17AAcC=O169.191
C14GAcC=O169.981