Lignin_cw_compound_3020 (C31 H32 O9)

bmse010345 Data

Entry STAR file: bmse010345.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: 548.58038

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

Concentration: Saturated (Source: Sally Ralph)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_3020 image

Assigned chemical shifts

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C4CGOMe51.521
C3BGOMe51.521
C1A4OMe55.971
C2A3OMe56.121
C20G61.381
C31A79.211
C28B82.641
C19A2112.381
C16A5112.471
C17BB116.211
C18CB116.331
C7C2117.261
C8C6117.261
C5B2117.381
C6B6117.381
C11A6121.021
C22C1128.261
C21B1128.321
C12B3130.511
C13B5130.511
C14C3130.521
C15C5130.521
C23A1130.561
C10CA144.871
C9BA144.961
C26A4150.251
C27A3150.261
C25C4160.501
C24B4161.691
C30CG167.661
C29BG167.721
H49BGOMe3.6931
H47BGOMe3.6931
H48BGOMe3.6931
H51CGOMe3.7111
H52CGOMe3.7111
H50CGOMe3.7111
H43A4OMe3.7321
H42A4OMe3.7321
H41A4OMe3.7321
H46A3OMe3.7521
H44A3OMe3.7521
H45A3OMe3.7521
H68G3.9541
H69G3.9541
H72GOH4.1571
H70B4.8811
H71A5.6031
H66CB6.3351
H65BB6.3631
H64A56.8761
H55C26.9731
H56C66.9731
H53B27.0151
H54B67.0151
H59A67.0471
H67A27.1261
H62C37.5151
H63C57.5151
H60B37.5501
H61B57.5501
H58CA7.5431
H57BA7.5821