Lignin_cw_compound_2024 (C48 H52 O16)

bmse010467 Data

Entry STAR file: bmse010467.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: 884.91688

This is of the category: Tetramers

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_2024 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C4AGAcMe20.751
C3CGAcMe20.751
C1BGAcMe20.981
C2DGAcMe20.981
C5A4OMe55.751
C7A3OMe55.821
C6B3OMe55.861
C8C3OMe56.061
C9D3OMe55.971
C38CB50.181
C28G63.671
C20BG65.091
C21DG65.171
C27CG65.281
C48A80.141
C46B81.801
C47CA88.431
C23B2110.021
C25C2110.331
C24D2110.171
C18A5110.561
C26A2110.791
C22D6115.291
C19C5116.531
C17B5118.471
C16C6118.591
C14B6119.731
C15A6119.951
C11DB121.161
C10BB121.911
C37D5127.571
C36A1130.181
C34D1130.491
C33B1131.241
C12BA133.941
C35C1134.121
C13DA134.321
C45D3144.371
C41C4147.381
C40B4147.711
C49D4148.211
C43A3148.831
C39A4148.931
C44C3150.391
C42B3150.781
C30DGAcC=O170.701
C29BGAcC=O170.771
C32AGAcC=O170.821
C31CGAcC=O170.851

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C4AGAcMe20.641
C3CGAcMe20.641
C1BGAcMe20.791
C2DGAcMe20.791
C5A4OMe55.971
C7A3OMe56.061
C6B3OMe56.221
C8C3OMe56.381
C38CB51.081
C28G63.861
C20BG65.381
C21DG65.491
C27CG65.901
C48A80.891
C46B81.731
C47CA88.651
C23B2111.281
C25C2111.451
C24D2112.161
C18A5112.221
C26A2112.311
C22D6116.311
C19C5117.461
C17B5118.911
C16C6119.111
C14B6120.481
C15A6120.981
C11DB122.191
C10BB123.041
C37D5129.061
C36A1130.901
C34D1131.461
C33B1132.081
C12BA134.261
C35C1135.741
C13DA134.711
C45D3145.371
C41C4148.111
C40B4148.831
C49D4149.291
C43A3150.201
C39A4150.231
C44C3151.421
C42B3151.811
C30DGAcC=O170.761
C29BGAcC=O170.761
C32AGAcC=O170.791
C31CGAcC=O170.901
H119AA5.541
H117AB4.871
H114AG14.442
H115AG24.522
H118CA5.481
H116CB3.701
H112CG14.282
H113CG24.392

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C4AGAcMe20.451
C3CGAcMe20.451
C1BGAcMe20.701
C2DGAcMe20.701
C5A4OMe55.331
C7A3OMe55.591
C6B3OMe55.701
C8C3OMe55.791
C38CB49.161
C28G62.641
C20BG64.411
C21DG64.501
C27CG64.711
C48A78.771
C46B79.571
C47CA87.281
C23B2110.171
C25C2110.631
C24D2110.931
C18A5111.251
C26A2111.121
C22D6115.241
C19C5115.951
C17B5116.791
C16C6118.271
C14B6119.491
C15A6119.811
C11DB121.321
C10BB122.091
C37D5127.931
C36A1129.461
C34D1129.991
C33B1130.301
C12BA133.031
C35C1133.921
C13DA133.511
C45D3143.831
C41C4146.381
C40B4147.121
C49D4147.511
C43A3148.371
C39A4148.481
C44C3149.691
C42B3150.021
C30DGAcC=O170.051
C29BGAcC=O170.101
C32AGAcC=O170.131
C31CGAcC=O170.231