Lignin_cw_compound_3024 (C34 H36 O11)

bmse010502 Data

Entry STAR file: bmse010502.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: 620.64304

This is of the category: More Trimers Containing Ferulic, Coumaric or p-OH-Benzoic Acid

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_3024 image

Assigned chemical shifts

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1GAcMe20.611
C6BGOMe51.541
C5CGOMe51.581
C2A4OMe55.991
C4A3OMe56.091
C3B3OMe56.351
C21G63.491
C34A79.621
C31B81.211
C20A2112.241
C15B5112.381
C19B2112.381
C17CB116.421
C18BB116.981
C7C2117.281
C8C6117.281
C15B5118.211
C12A6120.821
C9B6122.931
C23C1128.461
C24B1129.891
C25A1130.141
C13C3130.521
C14C5130.521
C10CA144.851
C11BA145.141
C27A4150.331
C30A3150.371
C28B4150.721
C29B3151.801
C26C4160.441
C32CG167.671
C33BG167.671
C22GOAcC=O170.791
H48GAcMe1.9201
H46GAcMe1.9201
H47GAcMe1.9201
H61BGOMe3.6951
H62BGOMe3.6951
H63BGOMe3.6951
H59CGOMe3.7161
H58CGOMe3.7161
H60CGOMe3.7161
H55A3OMe3.7451
H57A3OMe3.7451
H56A3OMe3.7451
H51A4OMe3.7751
H49A4OMe3.7751
H50A4OMe3.7751
H53B3OMe3.8771
H52B3OMe3.8771
H54B3OMe3.8771
H78G14.4281
H79G24.4871
H80B4.9881
H81A5.6591
H74CB6.3451
H75BB6.4311
H73A56.8881
H64C26.9951
H65C66.9951
H72B57.0511
H69A67.0661
H66B67.1431
H77A27.1901
H76B27.3231
H70C37.5271
H71C57.5271
H67CA7.5531
H68BA7.5761