3-(4-Acetoxy-3-methoxyphenyl)acrylic Acid 4-[1,3-diacetoxy-2-(2-methoxyphenoxy)propyl]phenyl Ester (C33 H34 O12)

bmse010245 Data

Entry STAR file: bmse010245.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: 622.61586

This is of the category: More Trimers Containing Ferulic, Coumaric or p-OH-Benzoic Acid

Concentration: Saturated (Source: Richard F. Helm)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

3-(4-Acetoxy-3-methoxyphenyl)acrylic Acid 4-[1,3-diacetoxy-2-(2-methoxyphenoxy)propyl]phenyl Ester image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.624
C2AcMe20.764
C3AcMe21.014
C4OMe55.814
C5OMe55.944
C6OMe56.004
C19G62.591
C33A73.841
C31B80.221
C17C2111.411
C18A2112.041
C9B2112.681
C16CB117.161
C10B5119.551
C13A6119.751
C8B6121.011
C11C6121.541
C15A5122.671
C7B1123.331
C14C5123.631
C23C1133.171
C24A1135.481
C28A4139.771
C27C4141.781
C12CA145.851
C26B4147.181
C25B3151.101
C30A3151.141
C39C3151.491
C32CG164.571
C20AcC=O168.644
C21AcC=O169.504
C22AcC=O170.744
H46AcMe2.034
H47AcMe2.034
H48AcMe2.034
H49AcMe2.104
H50AcMe2.104
H51AcMe2.104
H52AcMe2.324
H53AcMe2.324
H54AcMe2.324
H55OMe3.794
H56OMe3.794
H57OMe3.794
H58OMe3.824
H59OMe3.824
H60OMe3.824
H61OMe3.864
H62OMe3.864
H63OMe3.864
H76G14.271
H77G24.471
H78B4.691
H79A6.111
H73CB6.601
H69CA7.801

Solvent: Acetone-d6
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.474
C2AcMe20.614
C3AcMe20.874
C4OMe56.214
C5OMe56.284
C6OMe56.444
C19G63.004
C33A74.611
C31B80.321
C17C2112.601
C18A2112.791
C9B2113.811
C16CB118.041
C10B5119.821
C13A6120.451
C8B6121.631
C11C6122.471
C15A5123.421
C7B1124.041
C14C5124.161
C23C1134.021
C24A1136.731
C28A4140.701
C27C4142.961
C12CA146.391
C26B4148.261
C25B3152.041
C30A3152.171
C39C3152.731
C32CG164.961
C20AcC=O168.744
C21AcC=O169.864
C22AcC=O170.704

Solvent: DMSO-d6
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.314
C2AcMe20.374
C3AcMe20.604
C4OMe55.584
C5OMe55.724
C6OMe55.984
C19G61.894
C33A73.171
C31B78.401
C17C2111.691
C18A2112.131
C9B2112.901
C16CB117.091
C10B5117.961
C13A6119.361
C8B6120.641
C11C6121.901
C15A5122.541
C7B1122.871
C14C5123.181
C23C1132.771
C24A1135.401
C28A4139.031
C27C4141.301
C12CA145.791
C26B4146.631
C25B3150.321
C30A3150.631
C39C3151.171
C32CG164.221
C20AcC=O168.214
C21AcC=O169.204
C22AcC=O169.964