Lignin_cw_compound_3071 (C23 H26 O9)

bmse010384 Data

Entry STAR file: bmse010384.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: 446.44714

This is of the category: b-O-4 Dimers, 3-Carbon Sidechain

Concentration: Saturated (Source: Sally Ralph)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_3071 image

Assigned chemical shifts

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1GAcMe20.661
C2A3OMe56.621
C3B3OMe56.731
C4B3OMe56.731
C13G63.591
C22A73.311
C21B84.561
C12A2104.651
C7A6104.651
C10B2106.941
C11B6106.941
C5BB129.111
C15B1131.091
C16A1131.651
C17A4136.041
C23B4139.261
C18A3148.511
C8A5148.511
C6BA153.451
C19B3154.571
C20B5154.571
C14GAcC=O167.761
C9BG193.901
H34GAcMe1.841
H35GAcMe1.841
H33GAcMe1.841
H36A3OMe3.801
H37A3OMe3.801
H38A3OMe3.801
H39B3OMe3.941
H40B3OMe3.941
H41B3OMe3.941
H44B5OMe3.941
H42B5OMe3.941
H43B5OMe3.941
H53G14.121
H54G24.391
H55B4.621
H56A4.941
H52A26.701
H47A66.701
H45BB6.771
H50B27.121
H51B67.121
H46BA7.611
H49BG9.671