1-(4-acetoxy-3,5-dimethoxyphenyl)-1,3-diacetoxy-2-[4-(1-acetoxyethyl)-2,6-dimethoxyphenoxy]propane (C29 H36 O13)

bmse010259 Data

Entry STAR file: bmse010259.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: 592.58834

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

Concentration: Saturated (Source: Sally Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

1-(4-acetoxy-3,5-dimethoxyphenyl)-1,3-diacetoxy-2-[4-(1-acetoxyethyl)-2,6-dimethoxyphenoxy]propane image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.424
C3AcMe20.724
C4AcMe21.024
C5AcMe21.334
C1BB22.251
C6OMe56.024
C7OMe56.024
C8OMe56.214
C9OMe56.214
C14G63.531
C15BA72.351
C27A75.611
C26B80.641
C10B2103.141
C11B6103.141
C12A2104.181
C13A6104.181
C28A4128.641
C21A1135.461
C20B1135.951
C29B4137.571
C24A3151.981
C25A5151.981
C22B3152.871
C23B5152.871
C19A4AcC=O168.491
C18AAcC=O169.701
C17BAAcC=O170.161
C16GAcC=O170.501
H46AcMe2.014
H47AcMe2.014
H48AcMe2.014
H50AcMe2.074
H49AcMe2.074
H51AcMe2.074
H54AcMe2.084
H53AcMe2.084
H52AcMe2.084
H56AcMe2.324
H55AcMe2.324
H57AcMe2.324
H44BB1.521
H43BB1.521
H45BB1.521
H58OMe3.784
H60OMe3.784
H59OMe3.784
H62OMe3.804
H61OMe3.804
H63OMe3.804
H74G13.941
H75G24.361
H77B4.541
H76BA5.791
H78A6.121
H70B26.551
H71B66.551
H72A26.701
H73A66.701

Solvent: Acetone-d6
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.234
C3AcMe20.634
C4AcMe20.924
C5AcMe21.144
C1BB22.561
C6OMe56.364
C7OMe56.364
C8OMe56.454
C9OMe56.454
C14G64.181
C15BA72.681
C27A76.621
C26B81.441
C10B2103.921
C11B6103.921
C12A2104.781
C13A6104.781
C28A4129.421
C21A1136.611
C20B1136.961
C29B4138.681
C24A3152.941
C25A5152.941
C22B3153.691
C23B5153.691
C19A4AcC=O168.371
C18AAcC=O169.801
C17BAAcC=O170.111
C16GAcC=O170.561

Solvent: DMSO-d6
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.064
C3AcMe20.374
C4AcMe20.624
C5AcMe20.954
C1BB22.021
C6OMe55.784
C7OMe55.784
C8OMe55.984
C9OMe55.984
C14G63.221
C15BA71.721
C27A75.731
C26B80.271
C10B2102.851
C11B6102.851
C12A2103.761
C13A6103.761
C28A4127.751
C21A1135.391
C20B1135.481
C29B4137.401
C24A3151.521
C25A5151.521
C22B3152.271
C23B5152.271
C19A4AcC=O167.931
C18AAcC=O169.271
C17BAAcC=O169.561
C16GAcC=O169.951