H-c-G (C21 H22 O6)

bmse010162 Data

Entry STAR file: bmse010162.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: 370.39578

This is of the category: b-5 Dimers

Concentration: 4 mg/ml (Source: Sally Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

H-c-G image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C2GAcMe20.891
C3A4AcMe21.211
C1BA21.351
C18B50.941
C4OMe56.111
C11G65.831
C20A87.461
C10B2113.351
C9B6117.041
C7A3121.811
C8A5121.811
C5A2127.101
C6A6127.101
C17B5128.301
C12B1131.591
C15A1138.761
C19B3144.091
C21B4145.861
C16A4150.541
C14A4AcC=O169.441
C13GAcC=O170.881

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C2GAcMe20.681
C3A4AcMe20.951
C1BA21.181
C18B51.781
C4OMe56.381
C11G66.291
C20A87.571
C10B2114.791
C9B6118.021
C7A3122.821
C8A5122.821
C5A2127.641
C6A6127.641
C17B5128.121
C12B1131.951
C15A1140.151
C19B3145.031
C21B4146.961
C16A4151.661
C14A4AcC=O169.621
C13GAcC=O170.941
H31GAcMe2.001
H32GAcMe2.001
H33GAcMe2.001
H34A4AcMe2.241
H35A4AcMe2.241
H36A4AcMe2.241
H28BA2.261
H29BA2.261
H30BA2.261
H18B3.731
H37OMe3.831
H38OMe3.831
H39OMe3.831
H46G14.271
H47G24.411
H49A5.581
H45B26.701
H44B66.731
H42A37.111
H43A57.111
H40A27.441
H41A67.441

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C2GAcMe20.481
C3A4AcMe20.731
C1BA20.731
C18B49.851
C4OMe55.561
C11G65.021
C20A85.951
C10B2113.401
C9B6116.881
C7A3121.901
C8A5121.901
C5A2126.831
C6A6126.831
C17B5127.671
C12B1130.591
C15A1138.551
C19B3143.381
C21B4145.141
C16A4150.071
C14A4AcC=O169.081
C13GAcC=O170.211