Dihydrodehydrodiisoeugenol (C20 H24 O4)

bmse010227 Data

Entry STAR file: bmse010227.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: 328.40216

This is of the category: b-5 Dimers

Concentration: 88 mg/ml (Source: John Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Dihydrodehydrodiisoeugenol image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BG13.901
C2G17.441
C5BB25.071
C6BA38.091
C12B45.811
C3OMe55.991
C4OMe55.991
C19A93.611
C11A2109.041
C10B2111.911
C8A5114.111
C9B6115.461
C7A6119.941
C14A1132.281
C15B5132.981
C13B1136.291
C20B4143.861
C16A4145.411
C18B3145.771
C17A3146.711
H26BG0.961
H25BG0.961
H27BG0.961
H30G1.361
H29G1.361
H28G1.361
H37BB1.641
H38BB1.641
H39BA2.551
H40BA2.551
H46B3.441
H31OMe3.864
H32OMe3.864
H33OMe3.864
H34OMe3.874
H35OMe3.874
H36OMe3.874
H47A5.071
H44B26.591
H43B66.621
H42A56.891
H41A66.891
H45A26.991

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BG14.081
C2G17.831
C5BB25.741
C6BA38.541
C12B46.431
C3OMe56.284
C4OMe56.414
C19A93.801
C11A2110.691
C10B2113.631
C8A5115.551
C9B6116.391
C7A6120.221
C14A1133.031
C15B5134.121
C13B1136.621
C20B4144.781
C16A4146.591
C18B3147.521
C17A3148.391

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BG13.651
C2G17.171
C5BB24.521
C6BA37.271
C12B44.711
C3OMe55.594
C4OMe55.644
C19A92.371
C11A2110.561
C10B2112.241
C8A5115.201
C9B6115.351
C7A6119.251
C14A1130.821
C15B5132.911
C13B1135.321
C20B4143.301
C16A4144.931
C18B3146.671
C17A3147.591