Erone (C17 H18 O6)

Erone bmse010046 - Data

bmse010046 Data

Entry STAR file: bmse010046.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: 318.32122

This is of the category: b-O-4 Dimers, 3-Carbon Sidechain, a-C=O

Concentration: 90 mg/ml (Source: Sally Ralph)

Spectrometer: Bruker WM - 250 MHz

Solvent: CDCl3
Atom ID	Author Nomenclature	Value	Ambiguity Code
C1	OMe	55.82	4
C2	OMe	56.02	4
C10	G	63.70	1
C16	B	83.94	1
C9	A2	110.88	1
C5	B2	112.35	1
C8	A5	114.21	1
C6	B5	117.56	1
C4	B6	121.18	1
C3	B1	123.26	1
C7	A6	124.16	1
C11	A1	127.68	1
C14	B4	146.91	1
C15	A3	146.95	1
C13	B3	150.12	1
C15	A4	151.28	1
C17	A	194.91	1
H25	OMe	3.83	4
H24	OMe	3.83	4
H26	OMe	3.83	4
H27	OMe	3.87	4
H28	OMe	3.87	4
H29	OMe	3.87	4
H37	G	4.08	1
H38	G	4.08	1
H39	B	5.43	1

Solvent: acetone
Atom ID	Author Nomenclature	Value	Ambiguity Code
C1	OMe	56.20	4
C2	OMe	56.24	4
C10	G	64.11	1
C16	B	83.69	1
C9	A2	112.48	1
C5	B2	113.65	1
C8	A5	115.50	1
C6	B5	116.70	1
C4	B6	121.57	1
C3	B1	122.94	1
C7	A6	124.66	1
C11	A1	128.72	1
C14	B4	148.29	1
C15	A3	148.36	1
C13	B3	150.86	1
C15	A4	152.76	1
C17	A	195.64	1

Solvent: DMSO
Atom ID	Author Nomenclature	Value	Ambiguity Code
C1	OMe	55.46	4
C2	OMe	55.50	4
C10	G	62.52	1
C16	B	81.32	1
C9	A2	111.71	1
C5	B2	112.67	1
C8	A5	114.48	1
C6	B5	114.98	1
C4	B6	120.48	1
C3	B1	121.47	1
C7	A6	123.51	1
C11	A1	126.79	1
C14	B4	146.94	1
C15	A3	147.49	1
C13	B3	149.13	1
C15	A4	152.22	1
C17	A	194.69	1