Guaiacylglycerol-B-guaiacyl Ether Triacetate (C23 H26 O9)

bmse010235 Data

Entry STAR file: bmse010235.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: 446.44714

This is of the category: b-O-4 Dimers, 3-Carbon Sidechain

Concentration: Saturated (Source: Richard F. Helm)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Guaiacylglycerol-B-guaiacyl Ether Triacetate image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.634
C2AcMe20.684
C3AcMe21.024
C4OMe55.814
C5OMe55.964
C13G63.091
C23A74.521
C22B80.261
C12A2111.751
C8B2112.581
C9B5118.791
C10A6119.581
C7B6121.001
C11A5122.791
C6B1123.311
C17A1135.351
C20A4139.931
C19B4147.961
C18B3150.841
C21A3151.121
C15A4AcC=O168.711
C16AAcC=O169.651
C14GAcC=O170.521
H33AcMe1.994
H34AcMe1.994
H35AcMe1.994
H38AcMe2.054
H37AcMe2.054
H36AcMe2.054
H39AcMe2.294
H40AcMe2.294
H41AcMe2.294
H43OMe3.804
H42OMe3.804
H44OMe3.804
H47OMe3.814
H46OMe3.814
H45OMe3.814
H55G14.061
H56G24.321
H58A6.121
H57B4.631

Solvent: Acetone-d6
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.454
C2AcMe20.584
C3AcMe20.914
C4OMe56.214
C5OMe56.304
C13G63.581
C23A75.371
C22B80.681
C12A2112.661
C8B2113.761
C9B5119.221
C10A6120.271
C7B6121.661
C11A5123.521
C6B1123.751
C17A1136.661
C20A4140.881
C19B4149.051
C18B3151.811
C21A3152.181
C15A4AcC=O168.831
C16AAcC=O169.941
C14GAcC=O170.621

Solvent: DMSO-d6
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.284
C2AcMe20.354
C3AcMe20.634
C4OMe55.544
C5OMe55.764
C13G62.471
C23A74.281
C22B79.051
C12A2111.621
C8B2112.751
C9B5117.471
C10A6119.361
C7B6120.641
C11A5122.571
C6B1122.621
C17A1135.401
C20A4139.191
C19B4147.541
C18B3150.131
C21A3150.671
C15A4AcC=O168.311
C16AAcC=O169.301
C14GAcC=O169.891