Lignin_cw_compound_2019 (C24 H26 O8)

bmse010464 Data

Entry STAR file: bmse010464.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: 442.45844

This is of the category: b-5 Dimers

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_2019 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1CH314.284
C2CH314.284
C3A3OMe55.241
C4B3OMe56.121
C5CH260.354
C6CH261.094
C14B2108.681
C13A2111.571
C9A5114.291
C10BB116.001
C18B123.291
C17B5124.761
C11B6124.821
C7A6125.821
C16B1126.811
C15A1126.941
C12A141.451
C8BA144.301
C20A3145.861
C23B4146.051
C19A4147.111
C21B3147.311
C22BG167.111
C24G167.461

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1CH314.614
C2CH314.624
C3A3OMe55.511
C4B3OMe56.581
C5CH260.474
C6CH261.054
C14B2110.251
C13A2113.281
C9A5115.631
C10BB116.311
C18B124.921
C17B5126.561
C11B6125.711
C7A6126.371
C16B1127.311
C15A1127.581
C12A141.371
C8BA145.251
C20A3147.871
C23B4148.031
C19A4148.991
C21B3149.101
C22BG167.291
C24G167.771
H35CH31.214
H34CH31.214
H33CH31.214
H36CH31.244
H38CH31.244
H37CH31.244
H41A3OMe3.441
H40A3OMe3.441
H39A3OMe3.441
H42B3OMe3.961
H43B3OMe3.961
H44B3OMe3.961
H45CH24.164
H46CH24.164
H47CH24.174
H48CH24.174
H52BB6.381
H55A26.6961
H51A56.7021
H49A66.831
H53B67.001
H56B27.381
H50BA7.561
H54AA7.761

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1CH314.144
C2CH314.164
C3A3OMe54.661
C4B3OMe56.051
C5CH259.624
C6CH260.154
C14B2110.051
C13A2112.921
C9A5115.021
C10BB115.171
C18B123.971
C17B5125.091
C11B6124.611
C7A6125.161
C16B1125.561
C15A1125.661
C12A140.111
C8BA144.491
C20A3147.021
C23B4147.111
C19A4148.161
C21B3148.231
C22BG166.441
C24G166.831