1-(4-acetoxy-3,5-dimethoxyphenyl)-1,3-diacetoxy-2-[4-(1-acetoxyethyl)-2-methoxyphenoxy] (C28 H34 O12)

bmse010258 Data

Entry STAR file: bmse010258.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: 562.56236

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-methoxyphenoxy] image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.424
C3AcMe20.704
C4AcMe21.044
C5AcMe21.354
C1BB22.081
C6BOMe55.881
C7AOMe56.211
C8AOMe56.211
C14G62.981
C15BA72.061
C27A74.651
C26B80.121
C12A2104.091
C13A6104.091
C11B2110.641
C10B5118.221
C9B6118.651
C28A4128.831
C21A1134.711
C20B1136.721
C22B4147.531
C23B3150.581
C24A3152.171
C25A5152.171
C19A4AcC=O168.471
C18AAcC=O169.661
C17BAAcC=O170.271
C16GAcC=O170.551
H46AcMe2.004
H44AcMe2.004
H45AcMe2.004
H48AcMe2.064
H49AcMe2.064
H47AcMe2.064
H52AcMe2.074
H51AcMe2.074
H50AcMe2.074
H53AcMe2.324
H55AcMe2.324
H54AcMe2.324
H42BB1.521
H43BB1.521
H41BB1.521
H57BOMe3.831
H56BOMe3.831
H58BOMe3.831
H61A3OMe3.811
H60A3OMe3.811
H59A3OMe3.811
H64A5OMe3.811
H63A5OMe3.811
H62A5OMe3.811
H70G14.071
H71G24.321
H73B4.601
H72BA5.821
H74A6.081
H68A26.671
H69A66.671

Solvent: Acetone-d6
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.234
C3AcMe20.624
C4AcMe20.934
C5AcMe21.154
C1BB22.461
C6BOMe56.291
C7AOMe56.521
C8AOMe56.521
C14G63.581
C15BA72.401
C27A75.641
C26B80.681
C12A2104.931
C13A6104.931
C11B2111.711
C10B5118.711
C9B6119.181
C28A4129.651
C21A1136.121
C20B1137.721
C22B4148.511
C23B3151.521
C24A3153.141
C25A5153.141
C19A4AcC=O168.401
C18AAcC=O169.961
C17BAAcC=O170.171
C16GAcC=O170.651

Solvent: DMSO-d6
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.044
C3AcMe20.374
C4AcMe20.634
C5AcMe20.934
C1BB21.871
C6BOMe55.611
C7AOMe55.961
C8AOMe55.961
C14G62.421
C15BA71.351
C27A74.541
C26B79.081
C12A2103.911
C13A6103.911
C11B2110.551
C10B5117.031
C9B6118.051
C28A4127.781
C21A1134.921
C20B1136.001
C22B4146.991
C23B3149.821
C24A3151.521
C25A5151.521
C19A4AcC=O167.881
C18AAcC=O169.321
C17BAAcC=O169.521
C16GAcC=O169.921