Syringylresinol Diacetate (C26 H30 O10)

bmse010060 Data

Entry STAR file: bmse010060.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: 502.5104

This is of the category: b-b Dimers

Concentration: 40 mg/ml (Source: Sally Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Syringylresinol Diacetate image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.461
C2AcMe20.461
C17B54.421
C18B54.421
C3OMe56.231
C4OMe56.231
C5OMe56.231
C6OMe56.231
C11G72.111
C12G72.111
C23A85.851
C24A85.851
C552102.291
C572102.291
C566102.291
C586102.291
C151128.061
C161128.061
C254139.631
C264139.631
C193152.301
C213152.301
C205152.301
C225152.301
C13AcC=O168.761
C14AcC=O168.761
H37AcMe2.331
H38AcMe2.331
H39AcMe2.331
H40AcMe2.331
H41AcMe2.331
H42AcMe2.331
H63B3.091
H64B3.091
H43OMe3.831
H44OMe3.831
H45OMe3.831
H46OMe3.831
H47OMe3.831
H48OMe3.831
H49OMe3.831
H50OMe3.831
H51OMe3.831
H52OMe3.831
H53OMe3.831
H54OMe3.831
H59G13.951
H60G24.311
H61G13.951
H62G24.311
H65A4.771
H66A4.771
H55A26.591
H57A26.591
H56A66.591
H58A66.591

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.261
C2AcMe20.261
C17B55.411
C18B55.411
C3OMe56.461
C4OMe56.461
C5OMe56.461
C6OMe56.461
C11G72.711
C12G72.711
C23A86.511
C24A86.511
C552103.301
C572103.301
C566103.301
C586103.301
C151128.911
C161128.911
C254141.411
C264141.411
C193153.231
C213153.231
C205153.231
C225153.231
C13AcC=O168.591
C14AcC=O168.591

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.071
C2AcMe20.071
C17B53.721
C18B53.721
C3OMe55.901
C4OMe55.901
C5OMe55.901
C6OMe55.901
C11G71.381
C12G71.381
C23A84.931
C24A84.931
C552102.441
C572102.441
C566102.441
C586102.441
C151127.041
C161127.041
C254140.031
C264140.031
C193151.601
C213151.601
C205151.601
C225151.601
C13AcC=O168.011
C14AcC=O168.011