Lignin_cw_compound_1004 (C27 H28 O9)

bmse010037 Data

Entry STAR file: bmse010037.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: 496.50582

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

Concentration: Saturated (Source: Richard F. Helm)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_1004 image

Assigned chemical shifts

Solvent: acetone/D2O
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe56.304
C2OMe56.314
C3OMe56.334
C16G61.381
C27A75.101
C25B84.001
C14C2111.321
C15A2112.641
C6B2113.681
C12A5115.171
C13CB115.841
C11C5116.011
C7B5119.071
C5B6121.771
C10A6121.821
C4B1123.281
C8C6124.001
C17C1127.401
C18A1129.621
C9CA146.021
C20A4147.321
C24A3147.971
C23C3148.721
C22B4149.231
C19C4150.081
C21B3151.851
C26CG166.351

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe56.284
C2OMe56.304
C3OMe56.324
C16G61.481
C27A75.091
C25B84.021
C14C2111.291
C15A2112.601
C6B2113.661
C12A5115.221
C13CB115.831
C11C5116.041
C7B5119.101
C5B6121.961
C10A6121.801
C4B1123.301
C8C6123.991
C17C1127.401
C18A1129.631
C9CA146.021
C20A4147.361
C24A3147.981
C23C3148.711
C22B4149.191
C19C4150.091
C21B3151.841
C26CG166.341
H58G13.601
H59G23.791
H60B4.671
H61A6.131
H55CB6.391
H51CA7.551