Lignin_cw_compound_33 (C26 H32 O10)

bmse010389 Data

Entry STAR file: bmse010389.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: 504.52628

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

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_33 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.714
C3AcMe21.054
C4AcMe21.354
C1BB22.091
C5OMe55.914
C6OMe55.954
C7OMe55.954
C14G63.261
C15BA72.061
C26A74.871
C25B80.441
C12B2110.581
C13A2110.751
C10A5111.121
C11B5118.231
C8B6118.661
C9A6119.881
C20A1128.931
C19B1136.591
C22B4147.721
C23A3149.041
C21A4149.301
C24B3150.651
C16AcC=O170.544
C17AcC=O170.234
C18AcC=O169.764
H42AcMe2.004
H40AcMe2.004
H41AcMe2.004
H44AcMe2.024
H45AcMe2.024
H43AcMe2.024
H48AcMe2.064
H47AcMe2.064
H46AcMe2.064
H38BB1.521
H39BB1.521
H37BB1.521
H54OMe3.854
H53OMe3.854
H52OMe3.854
H56OMe3.864
H55OMe3.864
H57OMe3.864
H58OMe3.874
H59OMe3.874
H60OMe3.874
H64G24.271
H65G13.991
H66BA4.821
H67A6.071
H68B4.631
C14G62.741
C26A74.081
C25B79.981

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.594
C3AcMe20.954
C4AcMe21.144
C1BB22.451
C5OMe56.064
C6OMe56.144
C7OMe56.324
C14G63.801
C15BA72.391
C26A75.671
C25B80.881
C12B2111.791
C13A2112.171
C10A5112.491
C11B5118.741
C8B6119.191
C9A6120.731
C20A1130.221
C19B1137.611
C22B4148.681
C23A3150.281
C21A4150.511
C24B3151.561
C16AcC=O169.884
C17AcC=O170.144
C18AcC=O170.594
C14G63.251
C26A74.761
C25B80.231

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.364
C3AcMe20.644
C4AcMe20.944
C1BB21.871
C5OMe55.414
C6OMe55.464
C7OMe55.664
C14G62.611
C15BA71.361
C26A74.541
C25B79.231
C12B2110.641
C13A2110.841
C10A5111.481
C11B5117.021
C8B6118.081
C9A6119.741
C20A1128.751
C19B1135.921
C22B4147.121
C23A3148.571
C21A4148.831
C24B3149.861
C16AcC=O169.224
C17AcC=O169.524
C18AcC=O169.914
C14G62.041
C26A73.251
C25B78.291