Lignin_cw_compound_146 (C19 H20 O6)

bmse010078 Data

Entry STAR file: bmse010078.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: 344.3585

This is of the category: b-O-4 Dimers, 2-Carbon Sidechain

Concentration: Saturated (Source: Sally Ralph)

Spectrometer: Bruker WM - 250 MHz

Solvent: CDCl3
Atom ID	Author Nomenclature	Value	Ambiguity Code
C1	BB	26.16	1
C2	OMe	56.03	4
C3	OMe	56.10	4
C4	OMe	56.10	4
C11	B	71.39	1
C10	A2	110.30	1
C7	A5	110.54	1
C9	B2	111.10	1
C8	B5	112.57	1
C5	B6	122.74	1
C6	A6	122.85	1
C14	A1	127.58	1
C13	B1	131.52	1
C18	A3	149.40	1
C19	B3	149.40	1
C17	B4	151.79	1
C16	A4	154.14	1
C15	A	192.22	1
C12	BA	196.56	1

Solvent: acetone
Atom ID	Author Nomenclature	Value	Ambiguity Code
C1	BB	26.29	1
C2	OMe	56.21	4
C3	OMe	56.30	4
C4	OMe	56.36	4
C11	B	71.71	1
C10	A2	111.63	1
C7	A5	111.77	1
C9	B2	112.29	1
C8	B5	113.55	1
C5	B6	123.45	1
C6	A6	123.54	1
C14	A1	128.67	1
C13	B1	132.02	1
C18	A3	150.32	1
C19	B3	150.32	1
C17	B4	153.19	1
C16	A4	155.19	1
C15	A	192.90	1
C12	BA	196.36	1
H26	BB	2.50	1
H27	BB	2.50	1
H28	BB	2.50	1
H29	OMe	3.87	4
H30	OMe	3.87	4
H31	OMe	3.87	4
H32	OMe	3.89	4
H33	OMe	3.89	4
H34	OMe	3.89	4
H36	OMe	3.90	4
H35	OMe	3.90	4
H37	OMe	3.90	4
H44	B	5.56	1
H45	B	5.56	1
H41	B5	6.94	1
H40	A5	7.07	1
H39	A6	7.75	1

Solvent: DMSO
Atom ID	Author Nomenclature	Value	Ambiguity Code
C1	BB	26.22	1
C2	OMe	55.59	4
C3	OMe	55.63	4
C4	OMe	55.78	4
C11	B	70.30	1
C10	A2	110.32	1
C7	A5	110.92	1
C9	B2	111.03	1
C8	B5	112.28	1
C5	B6	122.58	1
C6	A6	122.58	1
C14	A1	127.08	1
C13	B1	130.24	1
C18	A3	148.54	1
C19	B3	148.69	1
C17	B4	151.73	1
C16	A4	153.61	1
C15	A	192.24	1
C12	BA	196.17	1