Lignin_cw_compound_2026 (C20 H18 O7)

bmse010299 Data

Entry STAR file: bmse010299.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: 370.35272

This is of the category: b-b Dimers

Concentration: Saturated (Source: Stephane Quideau)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_2026 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C15BB50.401
C16B53.871
C2B3OMe56.141
C1A3OMe55.951
C17A82.381
C19BA83.331
C18BG85.741
C7B2106.871
C5A2108.611
C37B5110.881
C4A5114.391
C3A6118.821
C8A1131.091
C10B1132.061
C9B6133.951
C11A4145.521
C13A3146.601
C12B4148.421
C14B3148.691
C20G176.431

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C15BB51.131
C16B54.581
C2B3OMe56.381
C1A3OMe56.251
C17A84.181
C19BA84.221
C18BG86.621
C7B2108.571
C5A2110.781
C37B5112.101
C4A5115.561
C3A6119.801
C8A1132.411
C10B1133.241
C9B6135.281
C11A4147.281
C13A3148.301
C12B4150.031
C14B3150.431
C20G177.321
H40B3.361
H39BB4.241
H41A4.721
H43BA5.731
H42BG5.601

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C15BB49.781
C16B53.161
C2B3OMe55.671
C1A3OMe55.581
C17A83.141
C19BA83.271
C18BG85.151
C7B2108.241
C5A2110.601
C37B5111.461
C4A5115.121
C3A6118.981
C8A1130.351
C10B1131.521
C9B6133.781
C11A4146.381
C13A3147.501
C12B4149.011
C14B3149.631
C20G176.861