S-(8-O-4)-G-(8-5)-G (C31 H36 O11)

bmse010516 Data

Entry STAR file: bmse010516.str

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Authors: Sally Ralph, John Ralph, Larry L. Landucci

From: NMR Database of Lignin and Cell Wall Model Compounds.

Natural Isotopic formula weight: 584.61094

This is of the category: Trimers

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

S-(8-O-4)-G-(8-5)-G image

Assigned chemical shifts

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C21BB54.81
C2OMe56.354
C3OMe56.354
C1OMe56.394
C4OMe56.584
C16AG61.861
C9CG63.261
C15BG64.581
C28AA73.841
C27ABe86.321
C27ABt88.031
C30BA88.241
C13A2105.361
C14A6105.361
C10C2111.141
C11C6111.141
C12B2119.331
C8B5119.331
C7B6119.331
C5CB128.421
C6CA130.481
H70BB3.511
H68AG13.512
H69AG23.712
H66BG3.852
H67BG3.852
H48OMe3.774
H46OMe3.774
H47OMe3.774
H51OMe3.774
H49OMe3.774
H50OMe3.774
H43OMe3.864
H44OMe3.864
H45OMe3.864
H52OMe3.944
H53OMe3.944
H54OMe3.944
H59CG4.192
H60CG4.192
H71ABt4.241
H71ABe4.321
H72AA4.861
H73BA5.591
H55CB6.231
H56CA6.511
H65A66.761
H64A26.761