Lignin_cw_compound_2079 (C32 H34 O12)

bmse010327 Data

Entry STAR file: bmse010327.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: 610.60516

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_2079 image

Assigned chemical shifts

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.254
C2AcMe21.064
C5AOMe56.361
C6AOMe56.361
C3BOMe56.451
C4BOMe56.451
C18G64.931
C30A74.561
C28B85.881
C16A2104.481
C17A6104.481
C8B2106.351
C9B6106.351
C15CB118.981
C13C3123.191
C14C5123.191
C7B1124.801
C32A4128.981
C10C2130.171
C11C6130.171
C21C1132.931
C31B4137.651
C22A1140.281
C12CA144.261
C26A3152.821
C27A5152.821
C23C4153.431
C24B3154.071
C25B5154.071
C29CG166.651
C19AcC=O168.544
C20AcC=O169.454
H46AcMe2.194
H47AcMe2.194
H45AcMe2.194
H49AcMe2.274
H50AcMe2.274
H48AcMe2.274
H58AOMe3.751
H59AOMe3.751
H57AOMe3.751
H60AOMe3.751
H61AOMe3.751
H62AOMe3.751
H51BOMe3.821
H53BOMe3.821
H52BOMe3.821
H55BOMe3.821
H54BOMe3.821
H56BOMe3.821
H74G14.161
H76B4.381
H75G24.501
H77A5.071
H71CB6.471
H64B26.681
H65B66.681
H72A26.871
H73A66.871
H63B17.011
H69C37.191
H70C57.191
H68CA7.631
H66C27.701
H67C67.701