Dibenzodioxicin (C39 H44 O16)

bmse010449 Data

Entry STAR file: bmse010449.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: 768.75706

This is of the category: Trimers

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Dibenzodioxicin image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BG10.341
C2CG10.381
C6BB31.881
C7CB32.081
C4OMe55.784
C3AOMe55.851
C5OMe56.004
C15AG62.971
C21BA75.841
C22CA75.841
C28AA84.821
C27AB86.931
C13B2108.861
C14C2109.471
C12A2109.471
C9A5114.411
C11C6118.921
C10B6119.351
C8A6120.901
C16A1130.011
C20C5133.191
C19B5132.121
C18C1141.361
C17B1141.741
C29B4144.751
C30C4145.981
C23A4145.981
C24A3146.801
C25B3151.721
C26C3152.241
HXBG0.971
HXCG0.971
HXBB1.811
HXCB1.811
HXAG3.551
HXOMe3.761
HXOMe3.841
HXOMe3.921
HXAB4.141
HXAA4.591
HXBA4.591
HXCA4.591

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BG10.711
C2CG10.771
C6BB33.231
C7CB33.301
C4OMe56.064
C3AOMe56.291
C5OMe56.334
C15AG62.971
C21BA75.521
C22CA75.521
C28AA85.181
C27AB87.711
C13B2110.171
C14C2110.551
C12A2111.941
C9A5115.561
C11C6119.261
C10B6119.571
C8A6121.331
C16A1131.381
C20C5133.241
C19B5133.911
C18C1143.381
C17B1143.721
C29B4145.951
C30C4146.731
C23A4147.431
C24A3148.161
C25B3152.751
C26C3153.151
H40BG0.961
H41BG0.961
H42BG0.961
H43CG0.961
H44CG0.961
H45CG0.961
H55BB1.751
H56BB1.751
H57CB1.751
H58CB1.751
H66AG13.481
H67AG23.701
H46OMe3.774
H47OMe3.774
H48OMe3.774
H49OMe3.834
H50OMe3.834
H51OMe3.834
H52OMe3.924
H53OMe3.924
H54OMe3.924
H70AB4.031
H68BA4.601
H69CA4.601
H71AA4.771
H60A56.841
H59A66.891
H62C66.961
H63A27.011
H61B67.051
H65C27.061
H65C27.081
H64B27.141
H64B27.161

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BG10.391
C2CG10.491
C6BB32.111
C7CB32.111
C4OMe55.544
C3AOMe55.691
C5OMe55.804
C15AG60.661
C21BA73.631
C22CA73.631
C28AA83.341
C27AB85.571
C13B2109.451
C14C2109.571
C12A2111.821
C9A5115.141
C11C6117.931
C10B6117.931
C8A6120.111
C16A1129.591
C20C5131.871
C19B5132.081
C18C1142.411
C17B1142.411
C29B4144.871
C30C4145.041
C23A4146.311
C24A3147.181
C25B3151.681
C26C3151.681
HXBG0.901
HXCG0.901
HXBB1.661
HXCB1.661
HXAG13.221
HXAG23.861
HXAB3.841
HXBA4.471
HXCA4.471
HXAA4.811