Lignin_cw_compound_212 (C19 H24 O8)

bmse010139 Data

Entry STAR file: bmse010139.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: 380.38906

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_212 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BOMe55.901
C2AOMe56.341
C3AOMe56.341
C10G61.051
C9BA64.871
C18A74.161
C17B89.201
C7A2103.821
C8A6103.821
C6B2110.981
C5B5119.981
C4B6120.501
C12A1130.661
C19A4134.611
C11B1137.061
C13B4146.931
C15A3147.101
C16A5147.101
C14B3151.161

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BOMe56.281
C2AOMe56.601
C3AOMe56.601
C10G61.951
C9BA64.541
C18A74.061
C17B88.561
C7A2105.411
C8A6105.411
C6B2111.951
C5B5119.601
C4B6120.021
C12A1132.821
C19A4136.171
C11B1137.971
C13B4148.421
C15A3148.501
C16A5148.501
C14B3151.541
H33AOMe3.801
H32AOMe3.801
H31AOMe3.801
H34AOMe3.801
H35AOMe3.801
H36AOMe3.801
H29BOMe3.861
H28BOMe3.861
H30BOMe3.861
H44G13.501
H45G23.691
H46B4.181
H44BA4.561
H45BA4.561
H47A4.871
H40A26.781
H41A66.781
H3766.841
H3927.031
H3857.121

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BOMe55.441
C2AOMe55.741
C3AOMe55.741
C10G60.001
C9BA62.741
C18A70.881
C17B84.441
C7A2104.131
C8A6104.131
C6B2110.971
C5B5115.431
C4B6118.581
C12A1131.931
C19A4134.311
C11B1135.451
C13B4146.931
C15A3147.341
C16A5147.341
C14B3149.391