Dibenzodioxicin (C39 H44 O16)

Dibenzodioxicin bmse010449 - Data

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

Solvent: CDCl3
Atom ID	Author Nomenclature	Value	Ambiguity Code
C1	BG	10.34	1
C2	CG	10.38	1
C6	BB	31.88	1
C7	CB	32.08	1
C4	OMe	55.78	4
C3	AOMe	55.85	1
C5	OMe	56.00	4
C15	AG	62.97	1
C21	BA	75.84	1
C22	CA	75.84	1
C28	AA	84.82	1
C27	AB	86.93	1
C13	B2	108.86	1
C14	C2	109.47	1
C12	A2	109.47	1
C9	A5	114.41	1
C11	C6	118.92	1
C10	B6	119.35	1
C8	A6	120.90	1
C16	A1	130.01	1
C20	C5	133.19	1
C19	B5	132.12	1
C18	C1	141.36	1
C17	B1	141.74	1
C29	B4	144.75	1
C30	C4	145.98	1
C23	A4	145.98	1
C24	A3	146.80	1
C25	B3	151.72	1
C26	C3	152.24	1
HX	BG	0.97	1
HX	CG	0.97	1
HX	BB	1.81	1
HX	CB	1.81	1
HX	AG	3.55	1
HX	OMe	3.76	1
HX	OMe	3.84	1
HX	OMe	3.92	1
HX	AB	4.14	1
HX	AA	4.59	1
HX	BA	4.59	1
HX	CA	4.59	1

Solvent: Acetone
Atom ID	Author Nomenclature	Value	Ambiguity Code
C1	BG	10.71	1
C2	CG	10.77	1
C6	BB	33.23	1
C7	CB	33.30	1
C4	OMe	56.06	4
C3	AOMe	56.29	1
C5	OMe	56.33	4
C15	AG	62.97	1
C21	BA	75.52	1
C22	CA	75.52	1
C28	AA	85.18	1
C27	AB	87.71	1
C13	B2	110.17	1
C14	C2	110.55	1
C12	A2	111.94	1
C9	A5	115.56	1
C11	C6	119.26	1
C10	B6	119.57	1
C8	A6	121.33	1
C16	A1	131.38	1
C20	C5	133.24	1
C19	B5	133.91	1
C18	C1	143.38	1
C17	B1	143.72	1
C29	B4	145.95	1
C30	C4	146.73	1
C23	A4	147.43	1
C24	A3	148.16	1
C25	B3	152.75	1
C26	C3	153.15	1
H40	BG	0.96	1
H41	BG	0.96	1
H42	BG	0.96	1
H43	CG	0.96	1
H44	CG	0.96	1
H45	CG	0.96	1
H55	BB	1.75	1
H56	BB	1.75	1
H57	CB	1.75	1
H58	CB	1.75	1
H66	AG1	3.48	1
H67	AG2	3.70	1
H46	OMe	3.77	4
H47	OMe	3.77	4
H48	OMe	3.77	4
H49	OMe	3.83	4
H50	OMe	3.83	4
H51	OMe	3.83	4
H52	OMe	3.92	4
H53	OMe	3.92	4
H54	OMe	3.92	4
H70	AB	4.03	1
H68	BA	4.60	1
H69	CA	4.60	1
H71	AA	4.77	1
H60	A5	6.84	1
H59	A6	6.89	1
H62	C6	6.96	1
H63	A2	7.01	1
H61	B6	7.05	1
H65	C2	7.06	1
H65	C2	7.08	1
H64	B2	7.14	1
H64	B2	7.16	1

Solvent: DMSO
Atom ID	Author Nomenclature	Value	Ambiguity Code
C1	BG	10.39	1
C2	CG	10.49	1
C6	BB	32.11	1
C7	CB	32.11	1
C4	OMe	55.54	4
C3	AOMe	55.69	1
C5	OMe	55.80	4
C15	AG	60.66	1
C21	BA	73.63	1
C22	CA	73.63	1
C28	AA	83.34	1
C27	AB	85.57	1
C13	B2	109.45	1
C14	C2	109.57	1
C12	A2	111.82	1
C9	A5	115.14	1
C11	C6	117.93	1
C10	B6	117.93	1
C8	A6	120.11	1
C16	A1	129.59	1
C20	C5	131.87	1
C19	B5	132.08	1
C18	C1	142.41	1
C17	B1	142.41	1
C29	B4	144.87	1
C30	C4	145.04	1
C23	A4	146.31	1
C24	A3	147.18	1
C25	B3	151.68	1
C26	C3	151.68	1
HX	BG	0.90	1
HX	CG	0.90	1
HX	BB	1.66	1
HX	CB	1.66	1
HX	AG1	3.22	1
HX	AG2	3.86	1
HX	AB	3.84	1
HX	BA	4.47	1
HX	CA	4.47	1
HX	AA	4.81	1