1-(4-acetoxy-3,5-dimethoxyphenyl)-1,3-diacetoxy-2-(2-methoxyphenoxy)propane (C24 H28 O10)

bmse010260 Data

Entry STAR file: bmse010260.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: 476.47312

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-(2-methoxyphenoxy)propane image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.424
C2AcMe20.714
C3AcMe21.054
C4BOMe55.771
C5OMe56.201
C6OMe56.201
C13G63.081
C23A74.771
C2b80.231
C11A2104.081
C12A6104.081
C9B2112.481
C10B5118.611
C8B6120.981
C7B1123.281
C24A4128.791
C17A1134.801
C19B4147.921
C18B3150.761
C20A3152.161
C21A5152.161
C16A4AcC=O168.471
C14AAcC=O169.681
C15GAcC=O170.551

Solvent: Acetone-d6
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.244
C2AcMe20.624
C3AcMe20.944
C4BOMe56.201
C5OMe56.521
C6OMe56.521
C13G63.601
C23A75.671
C2b80.641
C11A2104.931
C12A6104.931
C9B2113.711
C10B5119.041
C8B6121.661
C7B1123.681
C24A4129.651
C17A1136.181
C19B4149.061
C18B3151.751
C20A3153.141
C21A5153.141
C16A4AcC=O168.411
C14AAcC=O169.971
C15GAcC=O170.661
H35AcMe1.974
H36AcMe1.974
H37AcMe1.974
H38AcMe2.024
H39AcMe2.024
H40AcMe2.024
H42AcMe2.214
H41AcMe2.214
H43AcMe2.214
H47A3OMe3.801
H49A3OMe3.801
H48A3OMe3.801
H51A5OMe3.801
H52A5OMe3.801
H50A5OMe3.801
H45OMe3.811
H44OMe3.811
H46OMe3.811
H59G14.041
H60G24.261
H61B4.791
H62A6.081
H57A26.851
H58A66.851
H53B16.971
H55B26.991
H56B57.041
H54B66.871

Solvent: DMSO-d6
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.054
C2AcMe20.394
C3AcMe20.654
C4BOMe55.521
C5OMe55.971
C6OMe55.971
C13G62.481
C23A74.581
C2b79.001
C11A2103.921
C12A6103.921
C9B2112.691
C10B5117.311
C8B6120.631
C7B1122.491
C24A4127.811
C17A1134.991
C19B4147.541
C18B3150.061
C20A3151.561
C21A5151.561
C16A4AcC=O167.891
C14AAcC=O169.341
C15GAcC=O169.941