G-bt-S-bt-G (C38 H44 O16)

G-bt-S-bt-G bmse010153 - Data

bmse010153 Data

Entry STAR file: bmse010153.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: 756.74636

This is of the category: Trimers

Concentration: 60 mg/ml (Source: Sally Ralph)

Spectrometer: Bruker WM - 250 MHz

Solvent: CDCl3
Atom ID	Author Nomenclature	Value	Ambiguity Code
C1	GAcMe	20.69	4
C2	GAcMe	20.75	4
C4	AAcMe	20.79	4
C5	AAcMe	21.09	4
C3	4AcMe	21.09	1
C6	OMe	55.80	4
C7	OMe	55.90	4
C8	OMe	56.04	4
C9	OMe	56.04	4
C20	AG	62.74	1
C19	BG	63.16	1
C36	AA	73.99	1
C37	BA	74.87	1
C34	BB	80.36	1
C35	AB	80.78	1
C17	B2	104.30	1
C18	B6	104.30	1
C16	A2	111.60	1
C12	C2	112.49	1
C13	C5	118.50	1
C14	A6	119.24	1
C11	C6	120.98	1
C15	A5	122.37	1
C10	C1	123.24	1
C27	B1	132.59	1
C38	B4	135.35	1
C26	A1	136.03	1
C30	A4	139.49	1
C29	C4	148.00	1
C28	C3	150.77	1
C31	A3	150.77	1
C32	B3	153.14	1
C33	B5	153.14	1
C23	A4AcC=O	168.84	1
C24	AAcC=O	169.49	4
C25	AAcC=O	169.76	4
C21	GAcC=O	170.51	4
C22	GAcC=O	170.82	4

Solvent: acetone
Atom ID	Author Nomenclature	Value	Ambiguity Code
C1	GAcMe	20.48	4
C2	GAcMe	20.58	4
C4	AAcMe	20.67	4
C5	AAcMe	20.92	4
C3	4AcMe	20.96	1
C6	OMe	56.19	4
C7	OMe	56.24	4
C8	OMe	56.43	4
C9	OMe	56.43	4
C20	AG	63.36	1
C19	BG	63.72	1
C36	AA	75.07	1
C37	BA	75.71	1
C34	BB	80.76	1
C35	AB	81.38	1
C17	B2	105.27	1
C18	B6	105.27	1
C16	A2	112.26	1
C12	C2	113.68	1
C13	C5	118.95	1
C14	A6	120.01	1
C11	C6	121.66	1
C15	A5	123.26	1
C10	C1	123.61	1
C27	B1	133.70	1
C38	B4	136.40	1
C26	A1	137.04	1
C30	A4	140.53	1
C29	C4	149.14	1
C28	C3	151.74	1
C31	A3	152.01	1
C32	B3	153.96	1
C33	B5	153.96	1
C23	A4AcC=O	168.95	1
C24	AAcC=O	169.92	4
C25	AAcC=O	169.99	4
C21	GAcC=O	170.61	4
C22	GAcC=O	170.61	4
H55	GAcMe	1.84	4
H56	GAcMe	1.84	4
H57	GAcMe	1.84	4
H58	GAcMe	1.98	4
H59	GAcMe	1.98	4
H60	GAcMe	1.98	4
H64	AAcMe	2.00	4
H65	AAcMe	2.00	4
H66	AAcMe	2.00	4
H67	AAcMe	2.10	4
H68	AAcMe	2.10	4
H69	AAcMe	2.10	4
H61	A4AcMe	2.22	1
H62	A4AcMe	2.22	1
H63	A4AcMe	2.22	1
H70	OMe	3.80	1
H71	OMe	3.80	1
H72	OMe	3.80	1
H73	OMe	3.80	1
H74	OMe	3.80	1
H75	OMe	3.80	1
H76	OMe	3.80	1
H77	OMe	3.80	1
H78	OMe	3.80	1
H79	OMe	3.80	1
H80	OMe	3.80	1
H81	OMe	3.80	1
H91	G	4.03	4
H93	G1	4.22	4
H94	G2	4.22	4
H92	G	4.41	4
H96	AB	4.71	1
H95	BB	4.79	1
H97	AA	6.07	1
H98	BA	6.07	1
H17	B2	6.79	1
H18	B6	6.79	1

Solvent: DMSO
Atom ID	Author Nomenclature	Value	Ambiguity Code
C1	GAcMe	20.28	4
C2	GAcMe	20.28	4
C4	AAcMe	22.41	4
C5	AAcMe	22.41	4
C3	4AcMe	20.65	1
C6	OMe	55.48	4
C7	OMe	55.62	4
C8	OMe	55.78	4
C9	OMe	55.78	4
C20	AG	62.19	1
C19	BG	62.56	1
C36	AA	73.74	1
C37	BA	74.60	1
C34	BB	79.15	1
C35	AB	79.94	1
C17	B2	104.13	1
C18	B6	104.13	1
C16	A2	110.95	1
C12	C2	112.61	1
C13	C5	117.23	1
C14	A6	118.78	1
C11	C6	120.60	1
C15	A5	122.46	1
C10	C1	122.46	1
C27	B1	132.42	1
C38	B4	134.48	1
C26	A1	135.59	1
C30	A4	138.85	1
C29	C4	147.58	1
C28	C3	150.03	1
C31	A3	150.53	1
C32	B3	152.43	1
C33	B5	152.43	1
C23	A4AcC=O	168.40	1
C24	AAcC=O	169.29	4
C25	AAcC=O	169.29	4
C21	GAcC=O	169.92	4
C22	GAcC=O	169.92	4