G-b-S-r-S-b-G (C42 H50 O16)

G-b-S-r-S-b-G bmse010121 - Data

bmse010121 Data

Entry STAR file: bmse010121.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: 810.8368

This is of the category: Tetramers

Concentration: 16 mg/ml (Source: Susana Luque)

Spectrometer: Bruker WM - 250 MHz

Solvent: CDCl3
Atom ID	Author Nomenclature	Value	Ambiguity Code
C25	BB	54.48	1
C26	CB	54.48	1
C1	OMe	56.00	4
C2	OMe	56.00	4
C3	OMe	56.27	4
C4	OMe	56.27	4
C5	OMe	56.27	4
C6	OMe	56.27	4
C17	AG	60.56	1
C18	DG	60.56	1
C19	BG	72.01	1
C20	CG	72.01	1
C37	AA	72.55	1
C38	DA	72.55	1
C39	BA	85.86	1
C40	CA	85.86	1
C35	AB	87.08	1
C36	DB	87.08	1
C13	B2	102.82	1
C15	C2	102.82	1
C14	B6	102.82	1
C16	C6	102.82	1
C11	A2	108.45	1
C12	D2	108.45	1
C9	A5	114.19	1
C10	D5	114.19	1
C7	A6	118.75	1
C8	D6	118.75	1
C21	A1	131.31	1
C22	D1	131.31	1
C23	B1	134.41	1
C24	C1	134.41	1
C41	B4	137.63	1
C42	C4	137.63	1
C27	A4	144.89	1
C28	D4	144.89	1
C29	A3	146.64	1
C30	D3	146.64	1
C31	B3	153.49	1
C33	C3	153.49	1
C32	B5	153.49	1
C34	C5	153.49	1

Solvent: acetone
Atom ID	Author Nomenclature	Value	Ambiguity Code
C25	BB	55.37	1
C26	CB	55.37	1
C1	OMe	56.26	4
C2	OMe	56.26	4
C3	OMe	56.62	4
C4	OMe	56.62	4
C5	OMe	56.62	4
C6	OMe	56.62	4
C17	AG	60.97	1
C18	DG	60.97	1
C19	BG	72.64	1
C20	CG	72.64	1
C37	AA	73.38	1
C38	DA	73.38	1
C39	BA	86.53	1
C40	CA	86.53	1
C35	AB	87.84	1
C36	DB	87.84	1
C13	B2	104.12	1
C15	C2	104.12	1
C14	B6	104.12	1
C16	C6	104.12	1
C11	A2	110.93	1
C12	D2	110.93	1
C9	A5	115.19	1
C10	D5	115.19	1
C7	A6	120.05	1
C8	D6	120.05	1
C21	A1	133.77	1
C22	D1	133.77	1
C23	B1	135.74	1
C24	C1	135.74	1
C41	B4	139.00	1
C42	C4	139.00	1
C27	A4	146.45	1
C28	D4	146.45	1
C29	A3	147.96	1
C30	D3	147.96	1
C31	B3	154.20	1
C33	C3	154.20	1
C32	B5	154.20	1
C34	C5	154.20	1
H60	OMe	3.83	4
H61	OMe	3.83	4
H59	OMe	3.83	4
H63	OMe	3.83	4
H62	OMe	3.83	4
H64	OMe	3.83	4
H67	OMe	3.87	4
H65	OMe	3.87	4
H66	OMe	3.87	4
H68	OMe	3.87	4
H69	OMe	3.87	4
H70	OMe	3.87	4
H71	OMe	3.87	4
H73	OMe	3.87	4
H72	OMe	3.87	4
H76	OMe	3.87	4
H75	OMe	3.87	4
H74	OMe	3.87	4
H88	AG2	3.71	1
H90	DG2	3.71	1
H99	AA	4.98	1
H100	DA	4.98	1
H101	BA	4.75	1
H102	CA	4.75	1
H83	B2	6.77	1
H84	B6	6.77	1
H85	C2	6.77	1
H86	C6	6.77	1
H81	A2	7.04	1
H82	D2	7.04	1

Solvent: DMSO
Atom ID	Author Nomenclature	Value	Ambiguity Code
C25	BB	53.56	1
C26	CB	53.56	1
C1	OMe	55.41	4
C2	OMe	55.41	4
C3	OMe	55.89	4
C4	OMe	55.89	4
C5	OMe	55.89	4
C6	OMe	55.89	4
C17	AG	59.73	1
C18	DG	59.73	1
C19	BG	71.21	1
C20	CG	71.21	1
C37	AA	72.00	1
C38	DA	72.00	1
C39	BA	84.97	1
C40	CA	84.97	1
C35	AB	86.05	1
C36	DB	86.05	1
C13	B2	103.22	1
C15	C2	103.22	1
C14	B6	103.22	1
C16	C6	103.22	1
C11	A2	110.85	1
C12	D2	110.85	1
C9	A5	114.54	1
C10	D5	114.54	1
C7	A6	119.24	1
C8	D6	119.24	1
C21	A1	133.18	1
C22	D1	133.18	1
C23	B1	134.69	1
C24	C1	134.69	1
C41	B4	136.68	1
C42	C4	136.68	1
C27	A4	145.20	1
C28	D4	145.20	1
C29	A3	146.85	1
C30	D3	146.85	1
C31	B3	152.50	1
C33	C3	152.50	1
C32	B5	152.50	1
C34	C5	152.50	1