Syringylglycerol-B-guaiacyl Ether (C18 H22 O7)

bmse010251 Data

Entry STAR file: bmse010251.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: 350.36308

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

Syringylglycerol-B-guaiacyl Ether image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BOMe55.881
C2AOMe56.321
C3AOMe56.321
C10G61.021
C17A74.161
C16B89.221
C8A2103.811
C9A6103.811
C6B2112.161
C7B5120.861
C5B6121.671
C4B1124.171
C11A1130.711
C18A4134.571
C14A3147.101
C15A5147.101
C13B4147.581
C12B3151.221

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BOMe56.241
C2AOMe56.541
C3AOMe56.541
C10G61.891
C17A73.971
C16B88.191
C8A2105.281
C9A6105.281
C6B2113.271
C7B5119.661
C5B6121.911
C4B1123.301
C11A1132.721
C18A4136.071
C14A3148.341
C15A5148.341
C13B4149.601
C12B3151.651
H27BOMe3.861
H26BOMe3.861
H28BOMe3.861
H29A3OMe3.791
H31A3OMe3.791
H30A3OMe3.791
H32A5OMe3.791
H33A5OMe3.791
H34A5OMe3.791
H44A4.881
H43B4.221
H47AOH4.491
H39A26.861
H40A66.861

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BOMe55.451
C2AOMe55.721
C3AOMe55.721
C10G60.011
C17A70.881
C16B84.031
C8A2104.071
C9A6104.071
C6B2112.381
C7B5115.521
C5B6120.581
C4B1120.901
C11A1131.891
C18A4134.261
C14A3147.311
C15A5147.311
C13B4148.181
C12B3149.551