Lignin_cw_compound_3070 (C22 H24 O8)

bmse010383 Data

Entry STAR file: bmse010383.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: 416.42116

This is of the category: 5-Hyroxyconiferyl alcohol 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_3070 image

Assigned chemical shifts

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1Me14.61
C3B3-OMe56.21
C2A3-OMe56.31
C12AG61.61
C4CH261.61
C21AA76.91
C19AB79.51
C9B2104.71
C10B6111.11
C11A2111.71
C7A5115.71
C8BB117.01
C6A6121.41
C13B1127.41
C14A1128.81
C22B4136.41
C5BA145.21
C18B5145.31
C15A4147.81
C17B3148.31
C16A3150.11
C20BG167.21
H31Me1.251
H32Me1.251
H33Me1.251
H49AG13.501
H50AG23.831
H37B3OMe3.851
H38B3OMe3.851
H39B3OMe3.851
H34A3OMe3.921
H35A3OMe3.921
H36A3OMe3.921
H51AB4.091
H40CH24.171
H41CH24.171
H52AA4.981
H45BB6.401
H47B66.851
H44A56.881
H46B26.951
H43A66.961
H48A27.101
H42BA7.541