Phenyl Coumaran Biphenyl (C40 H46 O8)

bmse010099 Data

Entry STAR file: bmse010099.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: 654.78844

This is of the category: Tetramers

Concentration: 60 mg/ml (Source: John Pew)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Phenyl Coumaran Biphenyl image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BG13.911
C2BG13.911
C3G17.481
C4G17.481
C9BB25.081
C10BB25.081
C11BA38.071
C12BA38.071
C21B45.681
C22B45.681
C5OMe56.004
C6OMe56.004
C7OMe56.204
C8OMe56.204
C37A93.521
C38A93.521
C15B2108.421
C16B2108.421
C19A2111.831
C20A2111.831
C13B6115.441
C14B6115.441
C17A6122.011
C18A6122.011
C29A5123.901
C30A5123.901
C23B1132.151
C24B1132.151
C25A1132.961
C26A1132.961
C27B5136.281
C28B5136.281
C33B3142.711
C34B3142.711
C35A4143.821
C36A4143.821
C31A3145.341
C32A3145.341
C39B4147.411
C40B4147.411

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BG14.101
C2BG14.101
C3G17.871
C4G17.871
C9BB25.791
C10BB25.791
C11BA38.541
C12BA38.541
C21B46.481
C22B46.481
C5OMe56.404
C6OMe56.404
C7OMe56.504
C8OMe56.504
C37A93.841
C38A93.841
C15B2109.381
C16B2109.381
C19A2113.571
C20A2113.571
C13B6116.401
C14B6116.401
C17A6122.571
C18A6122.571
C29A5125.821
C30A5125.821
C23B1132.381
C24B1132.381
C25A1134.151
C26A1134.151
C27B5136.651
C28B5136.651
C33B3144.741
C34B3144.741
C35A4144.791
C36A4144.791
C31A3146.581
C32A3146.581
C39B4148.761
C40B4148.761
H50BG0.921
H49BG0.921
H51BG0.921
H52BG0.921
H54BG0.921
H53BG0.921
H56G1.371
H57G1.371
H55G1.371
H58G1.371
H60G1.371
H59G1.371
H73BB1.611
H74BB1.611
H75BB1.611
H76BB1.611
H77BA2.521
H78BA2.521
H79BA2.521
H80BA2.521
H89B3.441
H90B3.441
H63OMe3.804
H62OMe3.804
H61OMe3.804
H66OMe3.804
H65OMe3.804
H64OMe3.804
H68OMe3.894
H69OMe3.894
H67OMe3.894
H70OMe3.894
H72OMe3.894
H71OMe3.894
H91A5.091
H92A5.091
H83B26.631
H84B26.631
H81B66.681
H82B66.681
H87A27.021
H88A27.021
H85A67.111
H86A67.111

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BG13.771
C2BG13.771
C3G17.281
C4G17.281
C9BB24.621
C10BB24.621
C11BA37.321
C12BA37.321
C21B44.801
C22B44.801
C5OMe55.664
C6OMe55.664
C7OMe55.944
C8OMe55.944
C37A92.391
C38A92.391
C15B2108.671
C16B2108.671
C19A2112.191
C20A2112.191
C13B6115.421
C14B6115.421
C17A6121.571
C18A6121.571
C29A5125.331
C30A5125.331
C23B1129.981
C24B1129.981
C25A1132.941
C26A1132.941
C27B5135.411
C28B5135.411
C33B3143.321
C34B3143.321
C35A4143.781
C36A4143.781
C31A3144.911
C32A3144.911
C39B4147.741
C40B4147.741