SP-(8-8)-S (C29 H32 O11)

bmse010379 Data

Entry STAR file: bmse010379.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: 556.55778

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

Concentration: Saturated (Source: Fachuang Lu and Kris Moreel)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

SP-(8-8)-S image

Assigned chemical shifts

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C19BB48.371
C20AB49.801
C1OMe56.501
C2OMe56.501
C3OMe56.501
C4OMe56.501
C14AG63.991
C13BG69.951
C25BA72.591
C28AA85.341
C11A2104.451
C12A6104.451
C9B2104.531
C10B6104.531
C7C3115.981
C8C5115.981
C15C1122.401
C5C2132.451
C6C6132.451
C17A1134.491
C16B1134.911
C27A4136.011
C26B4136.011
C23A3148.541
C24A5148.541
C21B3148.541
C22B5148.541
C18C4162.561
C29CA166.431
H66AB2.551
H41OMe3.744
H42OMe3.744
H43OMe3.744
H46OMe3.744
H45OMe3.744
H44OMe3.744
H49OMe3.784
H48OMe3.784
H47OMe3.784
H51OMe3.784
H50OMe3.784
H52OMe3.784
H65BB3.991
H61BG4.141
H62BG4.141
H63AG14.411
H64AG24.681
H68AA4.901
H67BA4.961
H59A26.661
H60A66.661
H57B26.721
H58B66.721
H55C36.871
H56C56.871
H53C27.771
H54C67.771