Lignin_cw_compound_282 (C28 H34 O10)

bmse010189 Data

Entry STAR file: bmse010189.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: 530.56356

This is of the category: 5-5 Dimers

Concentration: Saturated (Source: Forest Products Laboratory)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_282 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G10.011
C2G10.011
C54AcMe20.371
C64AcMe20.371
C3AAcMe21.231
C4AAcMe21.231
C9B29.461
C10B29.461
C7OMe56.101
C8OMe56.101
C23A76.861
C24A76.861
C132110.141
C142110.141
C116120.241
C126120.241
C215131.151
C225131.151
C274137.001
C284137.001
C191138.661
C201138.661
C253151.371
C263151.371
C17AcC=O168.761
C18AcC=O168.761
C15AAcC=O170.361
C16AAcC=O170.361
H45G0.901
H46G0.901
H47G0.901
H50G0.901
H49G0.901
H48G0.901
H63B1.851
H64B1.851
H65B1.851
H66B1.851
H534AcMe2.081
H524AcMe2.081
H514AcMe2.081
H544AcMe2.081
H554AcMe2.081
H564AcMe2.081
H45AAcMe2.091
H46AAcMe2.091
H47AAcMe2.091
H50AAcMe2.091
H49AAcMe2.091
H48AAcMe2.091
H57OMe3.861
H58OMe3.861
H59OMe3.861
H62OMe3.861
H61OMe3.861
H60OMe3.861
H71A5.631
H72A5.631
H6766.811
H6866.811
H6926.901
H7026.901

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G10.271
C2G10.271
C54AcMe20.331
C64AcMe20.331
C3AAcMe21.041
C4AAcMe21.041
C9B30.201
C10B30.201
C7OMe56.461
C8OMe56.461
C23A77.291
C24A77.291
C132110.871
C142110.871
C116120.411
C126120.411
C215131.871
C225131.871
C274137.911
C284137.911
C191140.041
C201140.041
C253152.641
C263152.641
C17AcC=O168.991
C18AcC=O168.991
C15AAcC=O170.461
C16AAcC=O170.461
H45G0.911
H46G0.911
H47G0.911
H50G0.911
H49G0.911
H48G0.911
H63B1.871
H64B1.871
H65B1.871
H66B1.871
H534AcMe2.031
H524AcMe2.031
H514AcMe2.031
H544AcMe2.031
H554AcMe2.031
H564AcMe2.031
H45AAcMe2.071
H46AAcMe2.071
H47AAcMe2.071
H50AAcMe2.071
H49AAcMe2.071
H48AAcMe2.071
H57OMe3.871
H58OMe3.871
H59OMe3.871
H62OMe3.871
H61OMe3.871
H60OMe3.871
H71A5.631
H72A5.631
H6766.791
H6866.791
H6927.111
H7027.111

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G9.811
C2G9.811
C54AcMe19.991
C64AcMe19.991
C3AAcMe20.821
C4AAcMe20.821
C9B28.901
C10B28.901
C7OMe56.041
C8OMe56.041
C23A76.031
C24A76.031
C132110.201
C142110.201
C116118.881
C126118.881
C215130.121
C225130.121
C274136.151
C284136.151
C191138.821
C201138.821
C253151.141
C263151.141
C17AcC=O168.331
C18AcC=O168.331
C15AAcC=O169.841
C16AAcC=O169.841
H45G0.861
H46G0.861
H47G0.861
H50G0.861
H49G0.861
H48G0.861
H63B1.811
H64B1.811
H65B1.811
H66B1.811
H534AcMe2.021
H524AcMe2.021
H514AcMe2.021
H544AcMe2.021
H554AcMe2.021
H564AcMe2.021
H45AAcMe2.071
H46AAcMe2.071
H47AAcMe2.071
H50AAcMe2.071
H49AAcMe2.071
H48AAcMe2.071
H57OMe3.811
H58OMe3.811
H59OMe3.811
H62OMe3.811
H61OMe3.811
H60OMe3.811
H71A5.581
H72A5.581
H6766.671
H6866.671
H6927.111
H7027.111