Lignin_cw_compound_3009 (C46 H50 O18)

bmse010498 Data

Entry STAR file: bmse010498.str

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Authors: Sally Ralph, John Ralph, Larry L. Landucci

From: NMR Database of Lignin and Cell Wall Model Compounds.

Natural Isotopic formula weight: 890.8784

This is of the category: Tetramers

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_3009 image

Assigned chemical shifts

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.264
C4AcMe20.614
C6AcMe20.934
C8OMe56.174
C10OMe56.524
C24G63.511
C44A75.311
C42B80.701
C46A2111.901
C16B2113.721
C18B5119.411
C20A6121.641
C14B6121.681
C12B1123.871
C34A5131.911
C32A1135.931
C46A4138.481
C38B4148.991
C36B3151.871
C40A3152.581
C64AcC=O168.881
C4AAcC=O170.091
C26GAcC=O170.711
C24G62.951
C44A74.591
C42B803441
C14B5120.091
C38B1124.191
C34A5131.701
C46A4138.361
C12B4148.191
C16B3152.111
H86OMe3.774
H88OMe3.774
H87OMe3.774
H93OMe3.854
H94OMe3.854
H92OMe3.854
H109G14.092
H110G24.292
H112B4.781
H114A6.081
H104A66.851
H102B66.851
H96B16.081
H100B26.961
H102B56.991
H103A27.021