4-Acetoxycinnamic Acid 3-acetoxy-3-(4-acetoxy- 3-methoxyphenyl)-2-(2-methoxyphenoxy)propyl Ester (C32 H32 O11)

bmse010243 Data

Entry STAR file: bmse010243.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: 592.58988

This is of the category: Trimers Containing Ferulic or Coumaric Acid

Concentration: Saturated (Source: Richard F. Helm)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

4-Acetoxycinnamic Acid 3-acetoxy-3-(4-acetoxy- 3-methoxyphenyl)-2-(2-methoxyphenoxy)propyl Ester image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.634
C2AcMe21.074
C3AcMe21.104
C4OMe55.814
C5OMe55.954
C19G63.391
C32A74.621
C30B80.501
C18A2111.781
C8B2112.551
C17CB117.581
C9B5118.981
C13A6119.561
C7B6121.011
C14C3122.131
C15C5122.131
C16A5122.841
C6B1123.351
C10C2129.301
C11C6129.301
C23C1131.951
C24A1135.361
C28A4139.941
C12CA144.221
C27B4148.001
C26B3150.921
C29A3151.141
C25C4152.231
C31CG166.281
C20AcC=O168.704
C21AcC=O169.024
C22AcC=O169.684
H45AcMe2.074
H46AcMe2.074
H44AcMe2.074
H48AcMe2.284
H49AcMe2.284
H47AcMe2.284
H51AcMe2.304
H50AcMe2.304
H52AcMe2.304
H54OMe3.794
H53OMe3.794
H55OMe3.794
H58OMe3.804
H57OMe3.804
H56OMe3.804
H72G14.231
H73G24.421
H74B4.721
H75A6.191
H70CB6.341
H63C27.121
H64C67.121
H67C37.511
H68C57.511
H65CA7.551

Solvent: Acetone-d6
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.464
C2AcMe20.954
C3AcMe20.954
C4OMe56.214
C5OMe56.284
C19G63.931
C32A75.531
C30B80.881
C18A2112.711
C8B2113.751
C17CB118.561
C9B5119.361
C13A6120.301
C7B6121.681
C14C3123.171
C15C5123.171
C16A5123.561
C6B1123.781
C10C2130.201
C11C6130.201
C23C1132.781
C24A1136.671
C28A4140.901
C12CA144.711
C27B4149.101
C26B3151.881
C29A3152.201
C25C4153.481
C31CG166.561
C20AcC=O168.814
C21AcC=O169.354
C22AcC=O169.964

Solvent: DMSO-d6
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.294
C2AcMe20.674
C3AcMe20.784
C4OMe55.554
C5OMe55.754
C19G62.861
C32A74.431
C30B79.251
C18A2111.701
C8B2112.761
C17CB117.511
C9B5117.591
C13A6119.381
C7B6120.661
C14C3122.291
C15C5122.291
C16A5122.591
C6B1129.851
C10C2129.571
C11C6129.571
C23C1131.491
C24A1135.431
C28A4139.211
C12CA143.871
C27B4147.591
C26B3150.181
C29A3150.671
C25C4152.041
C31CG165.661
C20AcC=O168.284
C21AcC=O168.834
C22AcC=O169.324