Lignin_cw_compound_26 (C20 H22 O8)

bmse010017 Data

Entry STAR file: bmse010017.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: 390.38388

This is of the category: b-O-4 Dimers, 2-Carbon Sidechain

Concentration: Saturated (Source: John Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_26 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.421
C2BOMe56.081
C3BOMe56.081
C4AOMe56.371
C5AOMe56.371
C11B75.541
C7B2105.351
C8B6105.351
C9A2105.541
C10A6105.541
C6B1124.261
C13A1133.121
C20A4133.121
C19B4136.451
C17A3152.261
C18A5152.261
C15B3153.271
C16B5153.271
C12AcC=0168.111
C14A194.031
H29AcMe2.341
H30AcMe2.341
H31AcMe2.341
H32BOMe3.801
H33BOMe3.801
H34BOMe3.801
H35BOMe3.801
H36BOMe3.801
H37BOMe3.801
H38AOMe3.871
H39AOMe3.871
H40AOMe3.871
H41AOMe3.871
H42AOMe3.871
H43AOMe3.871
H49B5.131
H50B5.131
H47A27.401
H48A67.401
H45B26.581
H46B66.581
H44B17.021

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.231
C2BOMe56.441
C3BOMe56.441
C4AOMe56.711
C5AOMe56.711
C11B75.991
C7B2106.341
C8B6106.341
C9A2106.501
C10A6106.501
C6B1124.951
C13A1133.941
C20A4134.211
C19B4137.501
C17A3153.301
C18A5153.301
C15B3154.361
C16B5154.361
C12AcC=0168.151
C14A194.581

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.021
C2BOMe55.821
C3BOMe55.821
C4AOMe56.181
C5AOMe56.181
C11B74.591
C7B2104.871
C8B6104.871
C9A2105.531
C10A6105.531
C6B1123.881
C13A1132.101
C20A4132.641
C19B4135.811
C17A3151.801
C18A5151.801
C15B3152.741
C16B5152.741
C12AcC=0167.601
C14A193.751