G-b-S-c-CA (C31 H36 O11)

G-b-S-c-CA bmse010108 - Data

bmse010108 Data

Entry STAR file: bmse010108.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: 584.61094

This is of the category: Trimers

Concentration: 14 mg/ml (Source: Susana Luque)

Spectrometer: Bruker WM - 250 MHz

Solvent: CDCl3
Atom ID	Author Nomenclature	Value	Ambiguity Code
C21	BB	53.94	1
C1	OMe	56.10	4
C2	OMe	56.10	4
C3	OMe	56.34	4
C4	OMe	56.34	4
C16	G	60.66	1
C9	CG	63.81	1
C15	BG	64.21	1
C28	A	72.64	1
C27	B	87.19	1
C29	BA	88.18	1
C13	B2	103.26	1
C14	B6	103.26	1
C12	A2	108.53	1
C11	C2	110.67	1
C8	A5	114.29	1
C10	C6	114.89	1
C7	A6	118.84	1
C5	CB	126.87	1
C20	C5	130.15	1
C6	CA	131.51	1
C17	C1	131.34	1
C18	A1	131.34	1
C19	B1	134.75	1
C31	B4	137.86	1
C24	C3	144.57	1
C22	A4	144.94	1
C23	A3	146.71	1
C30	C4	148.76	1
C25	B3	153.53	1
C26	B5	153.53	1

Solvent: acetone
Atom ID	Author Nomenclature	Value	Ambiguity Code
C21	BB	54.91	1
C1	OMe	56.24	4
C2	OMe	56.50	4
C3	OMe	56.61	4
C4	OMe	56.61	4
C16	G	60.97	1
C9	CG	63.36	1
C15	BG	64.62	1
C28	A	73.37	1
C27	B	87.87	1
C29	BA	88.36	1
C13	B2	104.10	1
C14	B6	104.10	1
C12	A2	110.89	1
C11	C2	111.89	1
C8	A5	115.20	1
C10	C6	116.06	1
C7	A6	120.01	1
C5	CB	128.57	1
C20	C5	130.15	1
C6	CA	130.40	1
C17	C1	132.20	1
C18	A1	133.73	1
C19	B1	136.10	1
C31	B4	139.09	1
C24	C3	145.22	1
C22	A4	146.44	1
C23	A3	147.97	1
C30	C4	148.82	1
C25	B3	154.26	1
C26	B5	154.26	1
H45	OMe	3.82	4
H43	OMe	3.82	4
H44	OMe	3.82	4
H46	OMe	3.84	4
H47	OMe	3.84	4
H48	OMe	3.84	4
H49	OMe	3.89	4
H51	OMe	3.89	4
H50	OMe	3.89	4
H52	OMe	3.89	4
H53	OMe	3.89	4
H54	OMe	3.89	4
H72	A	5.00	1
H73	BA	5.62	1
H64	B2	6.83	1
H65	B6	6.83	1
H55	CB	6.25	1
H56	CA	6.54	1

Solvent: DMSO
Atom ID	Author Nomenclature	Value	Ambiguity Code
C21	BB	52.93	1
C1	OMe	55.42	4
C2	OMe	55.90	4
C3	OMe	55.71	4
C4	OMe	55.71	4
C16	G	59.64	1
C9	CG	61.52	1
C15	BG	62.71	1
C28	A	71.98	1
C27	B	86.14	1
C29	BA	86.93	1
C13	B2	103.24	1
C14	B6	103.24	1
C12	A2	110.81	1
C11	C2	110.88	1
C8	A5	114.56	1
C10	C6	114.82	1
C7	A6	119.19	1
C5	CB	128.02	1
C20	C5	128.78	1
C6	CA	129.22	1
C17	C1	130.63	1
C18	A1	133.15	1
C19	B1	134.79	1
C31	B4	136.59	1
C24	C3	143.59	1
C22	A4	145.18	1
C23	A3	146.86	1
C30	C4	146.86	1
C25	B3	152.60	1
C26	B5	152.60	1