Lignin_cw_compound_284 (C30 H38 O9)

bmse010191 Data

Entry STAR file: bmse010191.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: 542.61732

This is of the category: Trimers

Concentration: Saturated (Source: Forest Products Laboratory)

Spectrometer: Bruker WM - 250 MHz

Solvent: CDCl3
Atom ID	Author Nomenclature	Value	Ambiguity Code
C1	G	10.15	4
C2	G	10.25	4
C3	G	10.30	4
C7	BB	31.42	1
C9	CB	31.48	1
C8	AB	32.00	1
C4	OMe	56.15	4
C5	OMe	56.15	4
C6	OMe	56.30	4
C22	AA	75.80	1
C21	BA	75.80	1
C23	CA	76.02	1
C13	C2	103.82	1
C14	C6	106.66	1
C12	B2	108.03	1
C15	A2	109.45	1
C10	B6	120.98	1
C11	A6	121.20	1
C19	B5	123.38	1
C20	A5	132.06	1
C29	C4	134.74	1
C18	C1	135.22	1
C16	B1	136.04	1
C30	A4	141.12	1
C28	B4	142.24	1
C17	A1	142.01	1
C26	C5	145.59	1
C24	B3	146.79	1
C25	C3	147.44	1
C27	A3	152.39	1
H72	CA	4.25	1
H70	BA	4.40	1
H71	AA	4.63	1
H68	C6	6.14	1
H67	C2	6.41	1
H64	B6	6.76	1
H66	B2	6.78	1
H65	A6	6.97	1
H69	A2	7.04	1

Solvent: acetone
Atom ID	Author Nomenclature	Value	Ambiguity Code
C1	G	10.51	4
C2	G	10.59	4
C3	G	10.59	4
C7	BB	32.97	1
C9	CB	33.11	1
C8	AB	33.27	1
C4	OMe	55.34	4
C5	OMe	55.34	4
C6	OMe	56.52	4
C22	AA	75.42	1
C21	BA	75.57	1
C23	CA	75.66	1
C13	C2	104.50	1
C14	C6	106.31	1
C12	B2	109.13	1
C15	A2	110.37	1
C10	B6	121.58	1
C11	A6	122.17	1
C19	B5	124.87	1
C20	A5	133.71	1
C29	C4	135.37	1
C18	C1	136.74	1
C16	B1	137.33	1
C30	A4	141.12	1
C28	B4	143.44	1
C17	A1	143.71	1
C26	C5	147.29	1
C24	B3	148.14	1
C25	C3	148.53	1
C27	A3	153.21	1
H42	BG	0.76	1
H40	BG	0.76	1
H41	BG	0.76	1
H46	CG	0.76	1
H47	CG	0.76	1
H48	CG	0.76	1
H45	AG	0.96	1
H44	AG	0.96	1
H43	AG	0.96	1
H58	BB	1.53	1
H59	BB	1.53	1
H62	CB	1.53	1
H63	CB	1.53	1
H60	AB	1.74	1
H61	AB	1.74	1
H49	OMe	3.75	4
H50	OMe	3.75	4
H51	OMe	3.75	4
H53	OMe	3.75	4
H52	OMe	3.75	4
H54	OMe	3.75	4
H56	OMe	3.81	4
H57	OMe	3.81	4
H55	OMe	3.81	4
H72	CA	4.23	1
H70	BA	4.35	1
H71	AA	4.60	1
H68	C6	6.18	1
H67	C2	6.52	1
H64	B6	6.75	1
H66	B2	6.86	1
H65	A6	6.98	1
H69	A2	7.11	1

Solvent: DMSO
Atom ID	Author Nomenclature	Value	Ambiguity Code
C1	G	9.95	4
C2	G	10.06	4
C3	G	10.26	4
C7	BB	32.06	1
C9	CB	32.06	1
C8	AB	32.06	1
C4	OMe	55.68	4
C5	OMe	55.74	4
C6	OMe	55.83	4
C22	AA	73.51	1
C21	BA	73.60	1
C23	CA	73.66	1
C13	C2	103.06	1
C14	C6	104.51	1
C12	B2	108.35	1
C15	A2	109.50	1
C10	B6	120.18	1
C11	A6	121.16	1
C19	B5	124.13	1
C20	A5	132.72	1
C29	C4	133.50	1
C18	C1	135.41	1
C16	B1	135.91	1
C30	A4	139.14	1
C28	B4	142.18	1
C17	A1	142.47	1
C26	C5	146.54	1
C24	B3	147.28	1
C25	C3	147.59	1
C27	A3	151.70	1
H42	BG	0.66	1
H40	BG	0.66	1
H41	BG	0.66	1
H46	CG	0.66	1
H47	CG	0.66	1
H48	CG	0.66	1
H45	AG	0.88	1
H44	AG	0.88	1
H43	AG	0.88	1
H58	BB	1.40	1
H59	BB	1.40	1
H62	CB	1.40	1
H63	CB	1.40	1
H60	AB	1.65	1
H61	AB	1.65	1
H70	BA	4.13	1
H72	CA	4.13	1
H71	AA	4.45	1
H68	C6	6.02	1
H67	C2	6.45	1
H64	B6	6.59	1
H66	B2	6.82	1
H65	A6	6.88	1
H69	A2	7.04	1
H77	C4OH	7.93	1
H76	B4OH	8.14	1