1-(4-acetoxy-3,5-dimethoxyphenyl)-1,3-diacetoxy-2-[4-(1-acetoxyethyl)phenoxy] Propane (C27 H32 O11)

bmse010040 Data

Entry STAR file: bmse010040.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: 532.53638

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)phenoxy] Propane image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.434
C3AcMe20.684
C4AcMe21.034
C5AcMe21.364
C1BB22.011
C6OMe56.251
C7OMe56.251
C14G62.671
C15BA71.851
C26A74.241
C25B78.171
C12A2104.091
C13A6104.091
C10B3116.321
C11B5116.321
C8B2127.671
C9B6127.671
C27A4128.951
C20B1134.351
C21A1135.261
C23A3152.281
C24A5152.281
C22B4158.021
C19A4AcC=O168.441
C18AAcC=O169.691
C15BAAcC=O170.301
C16GAcC=O170.561
H44AcMe1.994
H42AcMe1.994
H43AcMe1.994
H46AcMe2.054
H45AcMe2.054
H47AcMe2.054
H50AcMe2.054
H49AcMe2.054
H48AcMe2.054
H51AcMe2.324
H53AcMe2.324
H52AcMe2.324
H40BB1.511
H39BB1.511
H41BB1.511
H56A3OMe3.801
H55A3OMe3.801
H54A3OMe3.801
H59A5OMe3.801
H58A5OMe3.801
H57A5OMe3.801
H66G14.061
H67G24.251
H69B4.691
H68BA5.831
H70A6.031
H64A26.631
H65A66.631
H62B36.891
H63B56.891
H60B27.281
H61B67.281

Solvent: Acetone-d6
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.234
C3AcMe20.604
C4AcMe20.894
C5AcMe21.154
C1BB22.361
C6OMe56.581
C7OMe56.581
C14G63.311
C15BA72.191
C26A75.451
C25B79.231
C12A2105.051
C13A6105.051
C10B3117.121
C11B5117.121
C8B2128.291
C9B6128.291
C27A4129.801
C20B1135.981
C21A1136.241
C23A3153.251
C24A5153.251
C22B4159.201
C19A4AcC=O168.391
C18AAcC=O170.021
C15BAAcC=O170.191
C16GAcC=O170.681

Solvent: DMSO-d6
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.044
C3AcMe20.384
C4AcMe20.624
C5AcMe20.924
C1BB21.761
C6OMe56.011
C7OMe56.011
C14G62.151
C15BA71.121
C26A74.321
C25B77.601
C12A2104.001
C13A6104.001
C10B3116.001
C11B5116.001
C8B2127.281
C9B6127.281
C27A4127.831
C20B1134.661
C21A1134.811
C23A3151.571
C24A5151.571
C22B4157.681
C19A4AcC=O167.861
C18AAcC=O169.371
C15BAAcC=O169.521
C16GAcC=O169.941