Lignin_cw_compound_77 (C32 H32 O11)

bmse010238 Data

Entry STAR file: bmse010238.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: 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

Lignin_cw_compound_77 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.644
C2AcMe20.754
C3AcMe21.094
C4OMe55.824
C5OMe55.944
C19G62.731
C32A74.121
C30B80.251
C18A2111.881
C8B2112.681
C17CB117.661
C9B5119.581
C13A6119.661
C7B6121.021
C14C3122.151
C15C5122.151
C16A5122.601
C6B1123.631
C10C2129.311
C11C6129.311
C12C1131.911
C24A1135.381
C28A4139.781
C12CA144.581
C27B4147.181
C26B3151.011
C29A3151.151
C25C4152.281
C31CG165.331
C20AcC=O168.744
C21AcC=O168.994
C22AcC=O170.724
H46AcMe2.024
H47AcMe2.024
H48AcMe2.024
H49AcMe2.284
H50AcMe2.284
H51AcMe2.284
H52AcMe2.304
H53AcMe2.304
H54AcMe2.304
H53OMe3.774
H54OMe3.774
H55OMe3.774
H56OMe3.814
H57OMe3.814
H58OMe3.814
H72G14.321
H73G24.481
H74B4.771
H75A6.201
H70CB6.441
H63C27.131
H64C67.131
H67C37.531
H68C57.531
H32CA7.651

Solvent: Acetone-d6
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.464
C2AcMe20.624
C3AcMe20.954
C4OMe56.244
C5OMe56.314
C19G63.161
C32A74.971
C30B80.431
C18A2112.821
C8B2113.821
C17CB118.651
C9B5119.871
C13A6120.451
C7B6121.671
C14C3123.201
C15C5123.201
C16A5123.381
C6B1124.061
C10C2130.251
C11C6130.251
C12C1132.791
C24A1136.601
C28A4140.821
C12CA145.091
C27B4148.381
C26B3152.041
C29A3152.111
C25C4153.541
C31CG165.761
C20AcC=O168.854
C21AcC=O169.364
C22AcC=O170.714

Solvent: DMSO-d6
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.304
C2AcMe20.394
C3AcMe20.794
C4OMe55.614
C5OMe55.744
C19G62.061
C32A73.501
C30B78.571
C18A2111.731
C8B2112.911
C17CB117.551
C9B5118.041
C13A6119.311
C7B6120.681
C14C3122.311
C15C5122.311
C16A5122.521
C6B1122.891
C10C2129.651
C11C6129.651
C12C1131.491
C24A1135.321
C28A4139.121
C12CA144.321
C27B4146.761
C26B3150.341
C29A3150.571
C25C4152.101
C31CG164.861
C20AcC=O168.324
C21AcC=O168.824
C22AcC=O169.954