Veratrylglycerol-B-guaiacyl Ether (C18 H22 O6)

bmse010044 Data

Entry STAR file: bmse010044.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: 334.36368

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

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Veratrylglycerol-B-guaiacyl Ether image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe55.844
C2OMe55.884
C3OMe55.884
C11G61.041
C18A73.771
C17B88.821
C10A2110.051
C9A5111.071
C6B2112.211
C8A6119.551
C7B5120.521
C5B6121.611
C4B1123.931
C12A1132.381
C15B4147.651
C14A4148.831
C16A3149.041
C13B3151.071
H26OMe3.824
H25OMe3.824
H27OMe3.824
H30OMe3.834
H29OMe3.834
H28OMe3.834
H32OMe3.844
H33OMe3.844
H31OMe3.844
H44A4.961
H43B4.151

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe56.034
C2OMe56.114
C3OMe56.274
C11G61.701
C18A73.641
C17B87.921
C10A2111.891
C9A5112.291
C6B2113.361
C8A6120.031
C7B5119.561
C5B6121.831
C4B1123.301
C12A1135.011
C15B4148.921
C14A4149.671
C16A3149.961
C13B3151.611

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe55.224
C2OMe55.424
C3OMe55.524
C11G60.021
C18A70.771
C17B84.261
C10A2110.671
C9A5111.131
C6B2112.521
C8A6115.841
C7B5118.621
C5B6120.561
C4B1120.951
C12A1134.471
C15B4147.721
C14A4147.981
C16A3148.251
C13B3149.671