G-c-G (C22 H24 O7)

bmse010159 Data

Entry STAR file: bmse010159.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: 400.42176

This is of the category: b-5 Dimers

Concentration: 62 mg/ml (Source: Sally Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

G-c-G image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe21.514
C3AcMe21.674
C1BA22.131
C17B51.631
C4OMe56.771
C5OMe56.771
C11G66.491
C21A88.491
C10A2110.891
C9B2114.111
C8B6117.761
C6A6119.091
C7A5123.681
C16B5127.711
C12B1132.291
C18A4140.421
C15A1140.731
C20B3144.891
C22B4146.621
C19A3152.091
C14A4AcC=O169.811
C13GAcC=O171.661

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.474
C3AcMe20.704
C1BA21.181
C17B51.651
C4OMe56.234
C5OMe56.414
C11G66.191
C21A87.851
C10A2111.021
C9B2114.791
C8B6117.921
C6A6118.611
C7A5123.721
C16B5128.291
C12B1131.921
C18A4140.611
C15A1141.401
C20B3145.001
C22B4146.961
C19A3152.361
C14A4AcC=O168.971
C13GAcC=O170.961
H34AcMe2.014
H35AcMe2.014
H33AcMe2.014
H38AcMe2.224
H37AcMe2.224
H36AcMe2.224
H30BA2.261
H31BA2.261
H32BA2.261
H52B3.741
H39AOMe3.801
H40AOMe3.801
H41AOMe3.801
H42BOMe3.831
H43BOMe3.831
H44BOMe3.831
H50G14.291
H51G24.421
H53A5.551
H47B66.701
H48B26.731
H45A66.991
H46A57.051
H49A27.181

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.334
C3AcMe20.544
C1BA20.801
C17B49.821
C4OMe55.664
C5OMe55.734
C11G65.031
C21A86.411
C10A2110.391
C9B2113.501
C8B6116.901
C6A6117.811
C7A5122.871
C16B5127.221
C12B1130.681
C18A4138.981
C15A1139.881
C20B3143.481
C22B4145.261
C19A3150.831
C14A4AcC=O168.471
C13GAcC=O170.291