1-(4-acetoxy-3,5-dimethoxyphenyl)-2-(4-acetyl-2,6-dimethoxy Phenoxy)-3-hydroxypropan-1-one (C23 H26 O10)

bmse010240 Data

Entry STAR file: bmse010240.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: 462.44654

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

Concentration: Saturated (Source: Sally Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

1-(4-acetoxy-3,5-dimethoxyphenyl)-2-(4-acetyl-2,6-dimethoxy Phenoxy)-3-hydroxypropan-1-one image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.411
C1BB26.411
C3OMe56.244
C4OMe56.244
C5OMe56.394
C6OMe56.394
C11G63.361
C20B87.061
C9A2105.721
C10A6105.721
C7B2105.751
C8B6105.751
C15A1133.171
C22A4133.271
C14B1133.271
C23B4140.521
C18A3152.331
C19A5152.331
C16B3152.361
C17B5152.361
C13AcC=O168.051
C12BA194.741
C21A196.501
H37AcMe2.351
H38AcMe2.351
H39AcMe2.351
H34BB2.581
H35BB2.581
H36BB2.581
H46A3OMe3.811
H47A3OMe3.811
H48A3OMe3.811
H49A5OMe3.811
H50A5OMe3.811
H51A5OMe3.811
H40B5OMe3.861
H41B5OMe3.861
H42B5OMe3.861
H43B3OMe3.861
H44B3OMe3.861
H45B3OMe3.861
H20B5.221
H54A27.361
H55A67.361
H52B27.211
H53B67.211

Solvent: Acetone-d6
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.221
C1BB26.541
C3OMe56.564
C4OMe56.564
C5OMe56.704
C6OMe56.704
C11G63.671
C20B86.081
C9A2106.521
C10A6106.521
C7B2106.621
C8B6106.621
C15A1133.661
C22A4133.801
C14B1134.871
C23B4141.291
C18A3153.211
C19A5153.211
C16B3153.211
C17B5153.211
C13AcC=O168.151
C12BA195.711
C21A196.651

Solvent: DMSO-d6
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.061
C1BB26.481
C3OMe56.014
C4OMe56.014
C5OMe56.184
C6OMe56.184
C11G62.391
C20B83.671
C9A2105.441
C10A6105.441
C7B2105.851
C8B6105.851
C15A1131.791
C22A4132.051
C14B1133.691
C23B4140.221
C18A3151.621
C19A5151.621
C16B3151.711
C17B5151.711
C13AcC=O167.601
C12BA195.271
C21A196.511