Lignin_cw_compound_78 (C32 H32 O11)

bmse010239 Data

Entry STAR file: bmse010239.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_78 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.644
C2AcMe20.724
C3AcMe21.104
C4OMe55.774
C5OMe55.974
C19G63.261
C32A74.961
C30B80.521
C18A2111.711
C8B2112.471
C17CB117.781
C9B5118.911
C13A6119.491
C7B6120.961
C14C3122.141
C15C5122.141
C16A5122.841
C6B1123.301
C10C2129.261
C11C6129.261
C12C1131.961
C24A1135.411
C28A4139.941
C12CA144.341
C27B4148.081
C26B3150.891
C29A3151.141
C25C4152.231
C31CG165.461
C20AcC=O168.704
C21AcC=O169.024
C22AcC=O170.564
H46AcMe2.014
H47AcMe2.014
H48AcMe2.014
H49AcMe2.284
H50AcMe2.284
H51AcMe2.284
H52AcMe2.304
H53AcMe2.304
H54AcMe2.304
H53OMe3.774
H54OMe3.774
H55OMe3.774
H56OMe3.824
H57OMe3.824
H58OMe3.824
H72G14.141
H73G24.361
H74B4.721
H75A6.231
H70CB6.371
H63C27.121
H64C67.121
H67C37.491
H68C57.491
H32CA7.551

Solvent: Acetone-d6
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.444
C2AcMe20.604
C3AcMe20.954
C4OMe56.174
C5OMe56.314
C19G63.691
C32A75.781
C30B80.861
C18A2112.731
C8B2113.681
C17CB118.731
C9B5119.331
C13A6120.271
C7B6121.621
C14C3123.161
C15C5123.161
C16A5123.561
C6B1123.751
C10C2130.151
C11C6132.781
C12C1132.781
C24A1136.681
C28A4140.941
C12CA144.861
C27B4149.101
C26B3151.871
C29A3152.211
C25C4153.471
C31CG165.841
C20AcC=O168.774
C21AcC=O169.324
C22AcC=O170.624

Solvent: DMSO-d6
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.294
C2AcMe20.384
C3AcMe20.784
C4OMe55.534
C5OMe55.804
C19G62.581
C32A74.611
C30B79.181
C18A2111.711
C8B2112.711
C17CB117.561
C9B5117.631
C13A6119.361
C7B6120.621
C14C3122.281
C15C5122.281
C16A5122.571
C6B1122.691
C10C2129.561
C11C6129.561
C12C1131.501
C24A1135.441
C28A4139.251
C12CA144.101
C27B4147.561
C26B3150.171
C29A3150.691
C25C4152.041
C31CG165.031
C20AcC=O168.274
C21AcC=O168.814
C22AcC=O169.904