Lignin_cw_compound_2072 (C28 H30 O10)

bmse010324 Data

Entry STAR file: bmse010324.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_2072 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BOMe56.201
C2BOMe56.201
C3AOMe56.331
C4AOMe56.331
C16G62.591
C26A71.901
C24B83.181
C14A2102.781
C15A6102.781
C6B2105.361
C7B6105.361
C13CB115.191
C11C3115.911
C12C5115.911
C5B1124.441
C17C1126.851
C8C2129.881
C9C6129.881
C18A1129.751
C27A4133.911
C28B4134.691
C10CA144.581
C22A3147.001
C23A5147.001
C20B3153.691
C21B5153.691
C19C4158.151
C25CG167.291

Solvent: Acetone-d6
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BOMe56.481
C2BOMe56.481
C3AOMe56.601
C4AOMe56.601
C16G63.571
C26A73.191
C24B84.401
C14A2104.591
C15A6104.591
C6B2106.341
C7B6106.341
C13CB115.731
C11C3116.651
C12C5116.651
C5B1124.751
C17C1127.031
C8C2130.821
C9C6130.821
C18A1131.661
C27A4135.911
C28B4136.591
C10CA144.991
C22A3148.491
C23A5148.491
C20B3154.531
C21B5154.531
C19C4160.431
C25CG167.161
H46A3OMe3.791
H47A3OMe3.791
H45A3OMe3.791
H50A5OMe3.791
H49A5OMe3.791
H48A5OMe3.791
H39B3OMe3.821
H41B3OMe3.821
H40B3OMe3.821
H43B5OMe3.821
H42B5OMe3.821
H44B5OMe3.821
H62G14.231
H62G24.451
H64B4.581
H67AOH4.6971
H65A4.961
H59CB6.151
H52B26.681
H53B66.681
H60A26.711
H61A66.711
H57C36.841
H58C56.841
H51B17.011
H56CA7.331
H54C27.461
H55C67.461

Solvent: DMSO-d6
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BOMe55.772
C2BOMe55.772
C3AOMe55.921
C4AOMe55.921
C16G63.381
C26A72.621
C24B83.511
C14A2103.771
C15A6103.771
C6B2105.321
C7B6105.321
C13CB114.121
C11C3115.811
C12C5115.811
C5B1123.401
C17C1125.031
C8C2130.111
C9C6130.111
C18A1132.101
C27A4134.451
C28B4135.921
C10CA144.161
C22A3147.631
C23A5147.631
C20B3152.891
C21B5152.891
C19C4159.741
C25CG166.271