Lignin_cw_compound_2071 (C28 H30 O10)

bmse010323 Data

Entry STAR file: bmse010323.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: 526.5318

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

Concentration: Saturated (Source: Stephane Quideau)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_2071 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BOMe56.011
C2BOMe56.011
C3AOMe56.251
C4AOMe56.251
C16G63.921
C26A74.661
C24B87.071
C14A2103.751
C15A6103.751
C6B2105.161
C7B6105.161
C13CB114.871
C11C3115.971
C12C5115.971
C5B1124.301
C17C1126.831
C8C2129.981
C9C6129.981
C18A1130.581
C27A4134.501
C28B4136.621
C10CA144.861
C22A3146.991
C23A5146.991
C20B3152.931
C21B5152.931
C19C4158.231
C25CG167.121

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BOMe56.441
C2BOMe56.441
C3AOMe56.591
C4AOMe56.591
C16G64.781
C26A74.811
C24B86.871
C14A2105.391
C15A6105.391
C6B2106.351
C7B6106.351
C13CB115.521
C11C3116.681
C12C5116.681
C5B1124.721
C17C1126.971
C8C2130.921
C9C6130.921
C18A1132.001
C27A4136.271
C28B4137.851
C10CA145.281
C22A3148.381
C23A5148.381
C20B3154.031
C21B5154.031
C19C4160.581
C25CG167.121
H47A3OMe3.761
H46A3OMe3.761
H45A3OMe3.761
H50A5OMe3.761
H49A5OMe3.761
H48A5OMe3.761
H39B3OMe3.831
H41B3OMe3.831
H40B3OMe3.831
H43B5OMe3.831
H42B5OMe3.831
H44B5OMe3.831
H62G14.061
H64B4.271
H63G24.451
H65A5.001
H67AOH4.601
H59CB6.331
H52B26.681
H53B66.681
H60A26.671
H61A16.671
H57C36.891
H58C56.891
H51B17.011
H56CA7.481
H54C27.531
H55C67.531

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BOMe55.782
C2BOMe55.782
C3AOMe55.931
C4AOMe55.931
C16G64.091
C26A72.171
C24B83.841
C14A2104.321
C15A6104.321
C6B2105.581
C7B6105.581
C13CB114.121
C11C3115.821
C12C5115.821
C5B1123.621
C17C1125.071
C8C2130.211
C9C6130.211
C18A1131.161
C27A4134.631
C28B4136.121
C10CA144.381
C22A3147.491
C23A5147.491
C20B3152.971
C21B5152.971
C19C4159.801
C25CG166.251