Syringylresinol Diacetate (C26 H30 O10)

bmse010060 Data

Entry STAR file: bmse010060.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: 502.5104

This is of the category: b-b Dimers

Concentration: 40 mg/ml (Source: Sally Ralph)

Spectrometer: Bruker WM - 250 MHz

Solvent: CDCl3
Atom ID	Author Nomenclature	Value	Ambiguity Code
C1	AcMe	20.46	1
C2	AcMe	20.46	1
C17	B	54.42	1
C18	B	54.42	1
C3	OMe	56.23	1
C4	OMe	56.23	1
C5	OMe	56.23	1
C6	OMe	56.23	1
C11	G	72.11	1
C12	G	72.11	1
C23	A	85.85	1
C24	A	85.85	1
C55	2	102.29	1
C57	2	102.29	1
C56	6	102.29	1
C58	6	102.29	1
C15	1	128.06	1
C16	1	128.06	1
C25	4	139.63	1
C26	4	139.63	1
C19	3	152.30	1
C21	3	152.30	1
C20	5	152.30	1
C22	5	152.30	1
C13	AcC=O	168.76	1
C14	AcC=O	168.76	1
H37	AcMe	2.33	1
H38	AcMe	2.33	1
H39	AcMe	2.33	1
H40	AcMe	2.33	1
H41	AcMe	2.33	1
H42	AcMe	2.33	1
H63	B	3.09	1
H64	B	3.09	1
H43	OMe	3.83	1
H44	OMe	3.83	1
H45	OMe	3.83	1
H46	OMe	3.83	1
H47	OMe	3.83	1
H48	OMe	3.83	1
H49	OMe	3.83	1
H50	OMe	3.83	1
H51	OMe	3.83	1
H52	OMe	3.83	1
H53	OMe	3.83	1
H54	OMe	3.83	1
H59	G1	3.95	1
H60	G2	4.31	1
H61	G1	3.95	1
H62	G2	4.31	1
H65	A	4.77	1
H66	A	4.77	1
H55	A2	6.59	1
H57	A2	6.59	1
H56	A6	6.59	1
H58	A6	6.59	1

Solvent: acetone
Atom ID	Author Nomenclature	Value	Ambiguity Code
C1	AcMe	20.26	1
C2	AcMe	20.26	1
C17	B	55.41	1
C18	B	55.41	1
C3	OMe	56.46	1
C4	OMe	56.46	1
C5	OMe	56.46	1
C6	OMe	56.46	1
C11	G	72.71	1
C12	G	72.71	1
C23	A	86.51	1
C24	A	86.51	1
C55	2	103.30	1
C57	2	103.30	1
C56	6	103.30	1
C58	6	103.30	1
C15	1	128.91	1
C16	1	128.91	1
C25	4	141.41	1
C26	4	141.41	1
C19	3	153.23	1
C21	3	153.23	1
C20	5	153.23	1
C22	5	153.23	1
C13	AcC=O	168.59	1
C14	AcC=O	168.59	1

Solvent: DMSO
Atom ID	Author Nomenclature	Value	Ambiguity Code
C1	AcMe	20.07	1
C2	AcMe	20.07	1
C17	B	53.72	1
C18	B	53.72	1
C3	OMe	55.90	1
C4	OMe	55.90	1
C5	OMe	55.90	1
C6	OMe	55.90	1
C11	G	71.38	1
C12	G	71.38	1
C23	A	84.93	1
C24	A	84.93	1
C55	2	102.44	1
C57	2	102.44	1
C56	6	102.44	1
C58	6	102.44	1
C15	1	127.04	1
C16	1	127.04	1
C25	4	140.03	1
C26	4	140.03	1
C19	3	151.60	1
C21	3	151.60	1
C20	5	151.60	1
C22	5	151.60	1
C13	AcC=O	168.01	1
C14	AcC=O	168.01	1