Lignin_cw_compound_1030 (C21 H24 O8)

bmse010284 Data

Entry STAR file: bmse010284.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: 404.41046

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

Concentration: Saturated (Source: Richard F. Helm)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_1030 image

Assigned chemical shifts

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.604
C2AcMe20.904
C3OMe56.204
C4OMe56.294
C12G63.301
C21A74.891
C20B80.401
C11A2112.011
C7B2113.781
C10A5115.411
C8B5119.561
C9A6121.281
C6B6121.611
C5B1123.831
C15A1129.071
C16A4147.531
C19A3148.151
C18B4148.491
C17B3152.001
C13AcC=O169.904
C14AcC=O170.754
H52A5.991
H51B4.811
H49G14.341
H50G23.981