Veratrone (C18 H20 O6)

Veratrone bmse010050 - Data

bmse010050 Data

Entry STAR file: bmse010050.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: 332.3478

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

Concentration: 68 mg/ml (Source: Larry L. Landucci)

Spectrometer: Bruker WM - 250 MHz

Solvent: CDCl3
Atom ID	Author Nomenclature	Value	Ambiguity Code
C1	OMe	55.82	4
C2	OMe	55.97	4
C3	OMe	56.10	4
C11	G	63.73	1
C17	B	84.31	1
C10	A2	110.17	1
C9	A5	111.04	1
C6	B2	112.35	1
C7	B5	117.96	1
C5	B6	121.17	1
C4	B1	123.40	1
C8	A6	123.63	1
C12	A1	128.10	1
C15	B4	146.97	1
C16	A3	149.20	1
C13	B3	150.30	1
C14	A4	153.95	1
C18	A	195.04	1
H26	OMe	3.84	4
H25	OMe	3.84	4
H27	OMe	3.84	4
H28	OMe	3.90	4
H30	OMe	3.90	4
H29	OMe	3.90	4
H33	OMe	3.93	4
H32	OMe	3.93	4
H31	OMe	3.93	4
H41	G	4.08	1
H42	G	4.08	1
H43	B	5.42	1
H40	A2	7.61	1
H38	A6	7.76	1

Solvent: acetone
Atom ID	Author Nomenclature	Value	Ambiguity Code
C1	OMe	56.05	4
C2	OMe	56.05	4
C3	OMe	56.21	4
C11	G	64.11	1
C17	B	83.88	1
C10	A2	111.53	1
C9	A5	112.23	1
C6	B2	113.74	1
C7	B5	116.95	1
C5	B6	121.59	1
C4	B1	123.04	1
C8	A6	124.28	1
C12	A1	129.44	1
C15	B4	148.43	1
C16	A3	150.07	1
C13	B3	151.01	1
C14	A4	154.89	1
C18	A	195.92	1

Solvent: DMSO
Atom ID	Author Nomenclature	Value	Ambiguity Code
C1	OMe	55.39	4
C2	OMe	55.46	4
C3	OMe	55.70	4
C11	G	62.47	1
C17	B	81.38	1
C10	A2	110.75	1
C9	A5	110.87	1
C6	B2	112.68	1
C7	B5	114.58	1
C5	B6	120.48	1
C4	B1	121.56	1
C8	A6	123.24	1
C12	A1	127.88	1
C15	B4	146.88	1
C16	A3	148.50	1
C13	B3	149.14	1
C14	A4	153.40	1
C18	A	195.14	1