G-b1-G (C23 H24 O9)

bmse010158 Data

Entry STAR file: bmse010158.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: 444.43126

This is of the category: b-1 Dimers

Concentration: Saturated (Source: Shawna Lemke)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

G-b1-G image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.674
C2AcMe20.674
C3AcMe20.924
C18B52.081
C4OMe56.031
C5OMe56.031
C12G65.581
C11A2111.991
C10B2112.321
C7A6120.951
C6B6122.221
C9A5122.941
C8B5123.541
C16B1133.941
C17A1135.021
C19B4139.641
C20A4144.131
C21B3151.541
C22A3151.721
C15A4AcC=O168.461
C14B4AcC=O168.831
C13GAcC=O170.891
C23A195.951

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.434
C2AcMe20.434
C3AcMe20.664
C18B52.371
C4OMe56.294
C5OMe56.404
C12G65.941
C11A2113.141
C10B2113.661
C7A6121.301
C6B6122.881
C9A5123.951
C8B5124.211
C16B1135.541
C17A1135.771
C19B4140.531
C20A4145.101
C21B3152.521
C22A3152.701
C15A4AcC=O168.581
C14B4AcC=O168.871
C13GAcC=O170.751
C23A196.631
H34AcMe1.934
H33AcMe1.934
H35AcMe1.934
H37AcMe2.204
H36AcMe2.204
H38AcMe2.204
H41AcMe2.244
H39AcMe2.244
H40AcMe2.244
H43OMe3.814
H44OMe3.814
H42OMe3.814
H47OMe3.964
H45OMe3.964
H46OMe3.964
H54G14.331
H55G24.761
H56B5.191
H48B66.981
H50B57.031
H51A57.161
H52B27.221
H49A67.731
H53A27.771

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.324
C2AcMe20.324
C3AcMe20.554
C18B50.521
C4OMe55.804
C5OMe55.954
C12G64.741
C11A2112.351
C10B2112.951
C7A6120.261
C6B6122.141
C9A5123.281
C8B5123.281
C16B1134.261
C17A1134.421
C19B4138.791
C20A4143.591
C21B3151.111
C22A3151.111
C15A4AcC=O138.101
C14B4AcC=O168.411
C13GAcC=O170.101
C23A195.911