Lignin_cw_compound_217 (C18 H22 O6)

bmse010144 Data

Entry STAR file: bmse010144.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: 334.36368

This is of the category: b-O-4 Dimers, 3-Carbon Sidechain

Concentration: Saturated (Source: Tracey Duch)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_217 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C9A37.301
C1OMe55.904
C2OMe56.094
C3OMe56.094
C11G62.211
C13B84.481
C5B2105.421
C6B6105.421
C10A2112.311
C8A5114.281
C7A6122.091
C4B1123.951
C12A1130.131
C18B4135.661
C14A4144.121
C17A3146.441
C15B3153.601
C16B5153.601

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C9A37.971
C1OMe56.194
C2OMe56.454
C3OMe56.454
C11G62.781
C13B85.291
C5B2106.491
C6B6106.491
C10A2113.891
C8A5115.521
C7A6122.811
C4B1124.511
C12A1130.761
C18B4137.091
C14A4145.711
C17A3148.051
C15B3154.611
C16B5154.611
H39A3.031
H40A3.031
H42G3.501
H43G3.501
H31AOMe3.821
H32AOMe3.821
H33AOMe3.821
H25BOMe3.831
H27BOMe3.831
H26BOMe3.831
H29BOMe3.831
H28BOMe3.831
H30BOMe3.831
H44B4.171
H35B26.691
H36B66.691
H38A56.741
H37A66.741
H41A26.901
H34B17.011
H46ArOH7.391

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C9A36.861
C1OMe55.524
C2OMe55.864
C3OMe55.864
C11G61.691
C13B83.461
C5B2105.651
C6B6105.651
C10A2113.581
C8A5115.111
C7A6121.681
C4B1123.411
C12A1129.321
C18B4135.651
C14A4144.641
C17A3147.151
C15B3153.291
C16B5153.291