Pinoresinol Biphenyl (C40 H42 O12)

bmse010095 Data

Entry STAR file: bmse010095.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: 714.75428

This is of the category: Tetramers

Concentration: 30 mg/ml (Source: John Pew)

Spectrometer: Bruker WM - 250 MHz

Solvent: CDCl3
Atom ID	Author Nomenclature	Value	Ambiguity Code
C27	AB	54.13	1
C28	AB	54.13	1
C25	BB	54.18	1
C26	BB	54.18	1
C1	OMe	55.97	4
C2	OMe	55.97	4
C3	OMe	56.22	4
C4	OMe	56.22	4
C17	AG	71.66	1
C18	AG	71.66	1
C15	BG	71.82	1
C16	BG	71.82	1
C39	AA	85.82	1
C40	AA	85.82	1
C37	BA	85.93	1
C38	BA	85.93	1
C13	A2	108.17	1
C14	A2	108.17	1
C11	B2	108.64	1
C12	B2	108.64	1
C7	B5	114.28	1
C8	B5	114.28	1
C5	B6	118.98	1
C6	B6	118.98	1
C9	A6	120.93	1
C10	A6	120.93	1
C23	A5	124.06	1
C24	A5	124.06	1
C21	A1	132.82	1
C22	A1	132.82	1
C19	B1	132.82	1
C20	B1	132.82	1
C35	A4	142.31	1
C36	A4	142.31	1
C29	B4	145.26	1
C30	B4	145.26	1
C33	B3	146.73	1
C34	B3	146.73	1
C31	A3	147.40	1
C32	A3	147.40	1

Solvent: acetone
Atom ID	Author Nomenclature	Value	Ambiguity Code
C27	AB	55.26	1
C28	AB	55.26	1
C25	BB	55.26	1
C26	BB	55.26	1
C1	OMe	56.25	4
C2	OMe	56.25	4
C3	OMe	56.48	4
C4	OMe	56.48	4
C17	AG	72.19	1
C18	AG	72.19	1
C15	BG	72.33	1
C16	BG	72.33	1
C39	AA	86.67	1
C40	AA	86.67	1
C37	BA	86.67	1
C38	BA	86.67	1
C13	A2	109.38	1
C14	A2	109.38	1
C11	B2	110.58	1
C12	B2	110.58	1
C7	B5	115.51	1
C8	B5	115.51	1
C5	B6	119.62	1
C6	B6	119.62	1
C9	A6	121.96	1
C10	A6	121.96	1
C23	A5	125.96	1
C24	A5	125.96	1
C21	A1	133.50	1
C22	A1	133.50	1
C19	B1	134.17	1
C20	B1	134.17	1
C35	A4	144.01	1
C36	A4	144.01	1
C29	B4	146.82	1
C30	B4	146.82	1
C33	B3	148.28	1
C34	B3	148.28	1
C31	A3	148.68	1
C32	A3	148.68	1
H53	OMe	3.82	4
H54	OMe	3.82	4
H55	OMe	3.82	4
H57	OMe	3.82	4
H56	OMe	3.82	4
H58	OMe	3.82	4
H61	OMe	3.87	4
H60	OMe	3.87	4
H59	OMe	3.87	4
H62	OMe	3.87	4
H63	OMe	3.87	4
H64	OMe	3.87	4
H80	AG2	4.21	1
H82	AG2	4.21	1
H76	BG2	4.21	1
H78	BG2	4.21	1
H89	AA	4.67	1
H90	AA	4.67	1
H87	BA	4.67	1
H88	BA	4.67	1

Solvent: DMSO
Atom ID	Author Nomenclature	Value	Ambiguity Code
C27	AB	53.60	1
C28	AB	53.60	1
C25	BB	53.60	1
C26	BB	53.60	1
C1	OMe	55.57	4
C2	OMe	55.57	4
C3	OMe	55.90	4
C4	OMe	55.90	4
C17	AG	70.86	1
C18	AG	70.86	1
C15	BG	70.98	1
C16	BG	70.98	1
C39	AA	85.14	1
C40	AA	85.14	1
C37	BA	85.21	1
C38	BA	85.21	1
C13	A2	108.61	1
C14	A2	108.61	1
C11	B2	110.39	1
C12	B2	110.39	1
C7	B5	115.08	1
C8	B5	115.08	1
C5	B6	118.60	1
C6	B6	118.60	1
C9	A6	120.90	1
C10	A6	120.90	1
C23	A5	125.44	1
C24	A5	125.44	1
C21	A1	131.28	1
C22	A1	131.28	1
C19	B1	132.16	1
C20	B1	132.16	1
C35	A4	142.96	1
C36	A4	142.96	1
C29	B4	145.85	1
C30	B4	145.85	1
C33	B3	147.46	1
C34	B3	147.46	1
C31	A3	147.63	1
C32	A3	147.63	1