Lignin_cw_compound_262 (C31 H36 O13)

bmse010446 Data

Entry STAR file: bmse010446.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: 616.60974

This is of the category: b-5 Dimers

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker WM - 250 MHz

Solvent: CDCl3
Atom ID	Author Nomenclature	Value	Ambiguity Code
CX	AcMe	20.76	1
CX	AcMe	20.76	1
CX	AcMe	20.76	1
CX	AcMe	20.85	1
CX	A4AcMe	21.07	1
CX	AB	50.64	1
CX	AOMe	56.02	1
CX	BOMe	56.26	1
CX	BG	62.36	1
CX	AG	64.98	1
CX	BB	72.47	1
CX	BA	73.95	1
CX	AA	88.20	1
CX	A2	110.13	1
CX	B2	111.74	1
CX	B6	115.87	1
CX	A6	118.40	1
CX	A5	122.97	1
CX	B5	127.58	1
CX	B1	129.80	1
CX	A1	139.29	1
CX	A4	139.84	1
CX	B3	144.61	1
CX	B4	148.54	1
CX	A3	151.39	1
CX	A4AcC=O	168.96	1
CX	BAAcC=O	169.87	1
CX	BBAcC=O	170.10	1
CX	BGAcC=O	170.45	1
CX	AGAcC=O	170.75	1

Solvent: Acetone
Atom ID	Author Nomenclature	Value	Ambiguity Code
CX	AcMe	20.47	1
CX	AcMe	20.56	1
CX	AcMe	20.73	1
CX	AcMe	20.73	1
CX	A4AcMe	20.89	1
CX	AB	51.45	1
CX	AOMe	56.29	1
CX	BOMe	56.59	1
CX	BG	63.00	1
CX	AG	65.79	1
CX	BB	73.27	1
CX	BA	74.55	1
CX	AA	88.40	1
CX	A2	111.11	1
CX	B2	113.19	1
CX	B6	116.84	1
CX	A6	118.78	1
CX	A5	123.80	1
CX	B5	128.83	1
CX	B1	131.06	1
CX	A1	140.82	1
CX	A4	140.92	1
CX	B3	145.31	1
CX	B4	149.38	1
CX	A3	152.46	1
CX	A4AcC=O	168.96	1
CX	BAAcC=O	170.01	1
CX	BBAcC=O	170.26	1
CX	BGAcC=O	170.63	1
CX	AGAcC=O	170.95	1
HX	AcMe	1.98	1
HX	AcMe	2.00	1
HX	AcMe	2.03	1
HX	AcMe	2.04	1
HX	A4AcMe	2.21	1
HX	AB	3.78	1
HX	AOMe	3.79	1
HX	BG1	3.82	1
HX	BOMe	3.87	1
HX	BG2	4.17	1
HX	AG	4.38	1
HX	BB	5.38	1
HX	AA	5.61	1
HX	BA	5.92	1
HX	B2	6.99	1
HX	B6	7.04	1
HX	A6	7.04	1
HX	A5	7.04	1
HX	A2	7.18	1