Lignin_cw_compound_3016 (C24 H24 O8)

bmse010341 Data

Entry STAR file: bmse010341.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: 440.44256

This is of the category: b-b Dimers

Concentration: Saturated (Source: Liming Zhang)

Spectrometer: Bruker DRX - 360 MHz

Solvent: CDCl3
Atom ID	Author Nomenclature	Value	Ambiguity Code
C1	AcMe	20.53	4
C2	AcMe	20.63	4
C7	A	29.57	1
C17	B	41.66	1
C18	BB	47.44	1
C23	BA	49.93	1
C3	OMe	55.87	4
C4	OMe	55.93	4
C11	BG	71.60	1
C8	B2	111.77	1
C9	A2	112.98	1
C5	B6	120.61	1
C6	B5	123.20	1
C10	A5	123.70	1
C16	A6	130.39	1
C15	A1	133.59	1
C22	A4	138.36	1
C19	B4	139.08	1
C14	B1	140.74	1
C21	A3	149.92	1
C20	B3	151.59	1
C12	AcC=O	168.90	4
C13	AcC=O	169.03	4
C24	G	176.43	1

Solvent: acetone
Atom ID	Author Nomenclature	Value	Ambiguity Code
C1	AcMe	20.36	4
C2	AcMe	20.48	4
C7	A	30.12	1
C17	B	41.87	1
C18	BB	47.65	1
C23	BA	50.09	1
C3	OMe	56.20	1
C4	OMe	56.20	1
C11	BG	71.85	1
C8	B2	113.40	1
C9	A2	114.00	1
C5	B6	121.45	1
C6	B5	123.86	1
C10	A5	124.12	1
C16	A6	132.09	1
C15	A1	134.97	1
C22	A4	139.27	1
C19	B4	140.00	1
C14	B1	142.52	1
C21	A3	150.80	1
C20	B3	152.59	1
C12	AcC=O	168.75	1
C13	AcC=O	168.75	1
C24	G	176.77	1
H35	AcMe	2.13	4
H34	AcMe	2.13	4
H33	AcMe	2.13	4
H36	AcMe	2.23	4
H37	AcMe	2.23	4
H38	AcMe	2.23	4
H55	BB	2.75	1
H54	AB	2.78	1
H47	AA1	2.98	1
H48	AA2	3.18	1
H40	OMe	3.75	4
H39	OMe	3.75	4
H41	OMe	3.75	4
H43	OMe	3.81	4
H44	OMe	3.81	4
H42	OMe	3.81	4
H56	BA	4.16	1
H52	BG	4.16	1
H53	BG	4.16	1
H51	A5	6.44	1
H45	B6	6.83	1
H49	B2	6.96	1
H50	A2	6.98	1
H46	B5	7.03	1