G-b-G-b1-G (C39 H44 O16)

bmse010434 Data

Entry STAR file: bmse010434.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: 768.75706

This is of the category: Trimers

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

G-b-G-b1-G image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1GAcMe20.691
C2GAcMe20.691
C5AAcMe20.784
C6AAcMe20.854
C34AcMe21.031
C44AcMe21.031
C30BB50.071
C7OMe55.834
C8OMe55.944
C9OMe55.974
C20AG62.521
C19BG64.291
C39AA73.721
C38BA75.071
C20AB80.011
C17B2111.361
C18A2111.981
C16C2113.121
C15B5118.741
C11B6119.481
C12A6119.731
C10C6121.221
C13C5122.501
C14A5122.621
C28B1133.411
C29A1135.341
C27C1136.291
C31C4139.061
C32A4139.821
C33B4147.001
C36B3150.751
C34C3150.801
C35A3151.021
C234AcC=O168.844
C244AcC=O168.904
C25AAcC=O169.554
C26AAcC=O169.784
C21GAcC=O170.744
C22GAcC=O170.804

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1GAcMe20.491
C2GAcMe20.491
C5AAcMe20.624
C6AAcMe20.694
C34AcMe20.871
C44AcMe20.871
C30BB50.961
C7OMe56.254
C8OMe56.254
C9OMe56.304
C20AG63.041
C19BG65.051
C39AA74.551
C38BA75.701
C20AB80.161
C17B2112.431
C18A2112.781
C16C2114.341
C15B5118.931
C11B6120.141
C12A6120.461
C10C6122.101
C13C5123.131
C14A5123.361
C28B1134.761
C29A1136.601
C27C1137.841
C31C4140.021
C32A4140.801
C33B4147.921
C36B3151.551
C34C3151.831
C35A3152.111
C234AcC=O168.924
C244AcC=O168.984
C25AAcC=O169.931
C26AAcC=O169.931
C21GAcC=O170.751
C22GAcC=O170.751
H58GAcMe1.951
H57GAcMe1.951
H56GAcMe1.951
H60GAcMe1.951
H59GAcMe1.951
H61GAcMe1.951
H69AAcMe2.071
H68AAcMe2.071
H70AAcMe2.071
H72AAcMe2.071
H71AAcMe2.071
H73AAcMe2.071
H634AcMe2.151
H624AcMe2.151
H644AcMe2.151
H674AcMe2.151
H664AcMe2.151
H654AcMe2.151
H96BB3.501
H75OMe3.744
H76OMe3.744
H74OMe3.744
H78OMe3.784
H79OMe3.784
H77OMe3.784
H82OMe3.834
H80OMe3.834
H81OMe3.834
H92BG14.211
H94AG14.271
H93BG24.331
H95AG24.371
H97AB4.851
H99AA6.061
H98BA6.131
H90B26.811
H84B66.821
H83C66.821
H88B56.961
H86C56.961
H89C27.021
H87A57.051
H85A67.051
H91A27.251
H91A27.261

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1GAcMe20.351
C2GAcMe20.351
C5AAcMe20.354
C6AAcMe20.504
C34AcMe20.611
C44AcMe20.611
C30BB49.131
C7OMe55.634
C8OMe55.684
C9OMe55.724
C20AG61.941
C19BG64.171
C39AA73.141
C38BA74.681
C20AB78.151
C17B2111.271
C18A2111.681
C16C2113.321
C15B5116.971
C11B6119.121
C12A6119.401
C10C6120.891
C13C5122.191
C14A5122.511
C28B1133.131
C29A1135.261
C27C1137.021
C31C4138.211
C32A4139.101
C33B4146.351
C36B3149.811
C34C3150.261
C35A3150.571
C234AcC=O168.461
C244AcC=O168.461
C25AAcC=O169.234
C26AAcC=O169.284
C21GAcC=O170.061
C22GAcC=O170.061