G-b-G-b1-G (C39 H44 O16)

G-b-G-b1-G bmse010434 - Data

bmse010434 Data

Entry STAR file: bmse010434.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: 768.75706

This is of the category: Trimers

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker WM - 250 MHz

Solvent: CDCl3
Atom ID	Author Nomenclature	Value	Ambiguity Code
C1	GAcMe	20.69	1
C2	GAcMe	20.69	1
C5	AAcMe	20.78	4
C6	AAcMe	20.85	4
C3	4AcMe	21.03	1
C4	4AcMe	21.03	1
C30	BB	50.07	1
C7	OMe	55.83	4
C8	OMe	55.94	4
C9	OMe	55.97	4
C20	AG	62.52	1
C19	BG	64.29	1
C39	AA	73.72	1
C38	BA	75.07	1
C20	AB	80.01	1
C17	B2	111.36	1
C18	A2	111.98	1
C16	C2	113.12	1
C15	B5	118.74	1
C11	B6	119.48	1
C12	A6	119.73	1
C10	C6	121.22	1
C13	C5	122.50	1
C14	A5	122.62	1
C28	B1	133.41	1
C29	A1	135.34	1
C27	C1	136.29	1
C31	C4	139.06	1
C32	A4	139.82	1
C33	B4	147.00	1
C36	B3	150.75	1
C34	C3	150.80	1
C35	A3	151.02	1
C23	4AcC=O	168.84	4
C24	4AcC=O	168.90	4
C25	AAcC=O	169.55	4
C26	AAcC=O	169.78	4
C21	GAcC=O	170.74	4
C22	GAcC=O	170.80	4

Solvent: Acetone
Atom ID	Author Nomenclature	Value	Ambiguity Code
C1	GAcMe	20.49	1
C2	GAcMe	20.49	1
C5	AAcMe	20.62	4
C6	AAcMe	20.69	4
C3	4AcMe	20.87	1
C4	4AcMe	20.87	1
C30	BB	50.96	1
C7	OMe	56.25	4
C8	OMe	56.25	4
C9	OMe	56.30	4
C20	AG	63.04	1
C19	BG	65.05	1
C39	AA	74.55	1
C38	BA	75.70	1
C20	AB	80.16	1
C17	B2	112.43	1
C18	A2	112.78	1
C16	C2	114.34	1
C15	B5	118.93	1
C11	B6	120.14	1
C12	A6	120.46	1
C10	C6	122.10	1
C13	C5	123.13	1
C14	A5	123.36	1
C28	B1	134.76	1
C29	A1	136.60	1
C27	C1	137.84	1
C31	C4	140.02	1
C32	A4	140.80	1
C33	B4	147.92	1
C36	B3	151.55	1
C34	C3	151.83	1
C35	A3	152.11	1
C23	4AcC=O	168.92	4
C24	4AcC=O	168.98	4
C25	AAcC=O	169.93	1
C26	AAcC=O	169.93	1
C21	GAcC=O	170.75	1
C22	GAcC=O	170.75	1
H58	GAcMe	1.95	1
H57	GAcMe	1.95	1
H56	GAcMe	1.95	1
H60	GAcMe	1.95	1
H59	GAcMe	1.95	1
H61	GAcMe	1.95	1
H69	AAcMe	2.07	1
H68	AAcMe	2.07	1
H70	AAcMe	2.07	1
H72	AAcMe	2.07	1
H71	AAcMe	2.07	1
H73	AAcMe	2.07	1
H63	4AcMe	2.15	1
H62	4AcMe	2.15	1
H64	4AcMe	2.15	1
H67	4AcMe	2.15	1
H66	4AcMe	2.15	1
H65	4AcMe	2.15	1
H96	BB	3.50	1
H75	OMe	3.74	4
H76	OMe	3.74	4
H74	OMe	3.74	4
H78	OMe	3.78	4
H79	OMe	3.78	4
H77	OMe	3.78	4
H82	OMe	3.83	4
H80	OMe	3.83	4
H81	OMe	3.83	4
H92	BG1	4.21	1
H94	AG1	4.27	1
H93	BG2	4.33	1
H95	AG2	4.37	1
H97	AB	4.85	1
H99	AA	6.06	1
H98	BA	6.13	1
H90	B2	6.81	1
H84	B6	6.82	1
H83	C6	6.82	1
H88	B5	6.96	1
H86	C5	6.96	1
H89	C2	7.02	1
H87	A5	7.05	1
H85	A6	7.05	1
H91	A2	7.25	1
H91	A2	7.26	1

Solvent: DMSO
Atom ID	Author Nomenclature	Value	Ambiguity Code
C1	GAcMe	20.35	1
C2	GAcMe	20.35	1
C5	AAcMe	20.35	4
C6	AAcMe	20.50	4
C3	4AcMe	20.61	1
C4	4AcMe	20.61	1
C30	BB	49.13	1
C7	OMe	55.63	4
C8	OMe	55.68	4
C9	OMe	55.72	4
C20	AG	61.94	1
C19	BG	64.17	1
C39	AA	73.14	1
C38	BA	74.68	1
C20	AB	78.15	1
C17	B2	111.27	1
C18	A2	111.68	1
C16	C2	113.32	1
C15	B5	116.97	1
C11	B6	119.12	1
C12	A6	119.40	1
C10	C6	120.89	1
C13	C5	122.19	1
C14	A5	122.51	1
C28	B1	133.13	1
C29	A1	135.26	1
C27	C1	137.02	1
C31	C4	138.21	1
C32	A4	139.10	1
C33	B4	146.35	1
C36	B3	149.81	1
C34	C3	150.26	1
C35	A3	150.57	1
C23	4AcC=O	168.46	1
C24	4AcC=O	168.46	1
C25	AAcC=O	169.23	4
C26	AAcC=O	169.28	4
C21	GAcC=O	170.06	1
C22	GAcC=O	170.06	1