3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxy-4-propylphenoxy)propan-1-ol (C20 H26 O5)

bmse010349 Data

Entry STAR file: bmse010349.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: 346.41744

This is of the category: b-O-4 Dimers, 3-Carbon Sidechain

Concentration: Saturated (Source: Sally Ralph)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxy-4-propylphenoxy)propan-1-ol image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BG13.771
C4BB24.581
C10A37.371
C5BA37.761
C2OMe55.764
C3OMe55.894
C13G63.411
C16B85.321
C11B2112.161
C12A2112.321
C8A5114.341
C9B5119.951
C7B6121.001
C6A6122.081
C12A1129.751
C15B1138.231
C17A4144.201
C18B4145.331
C19A3146.441
C22B3150.881
H26BG0.9151
H27BG0.9151
H28BG0.9151
H35BB1.5941
H36BB1.5941
H37BA2.5041
H38BA2.5041
H43A12.8661
H44A23.0401
H47G13.5741
H48G23.6561
H29OMe3.8234
H30OMe3.8234
H31OMe3.8234
H32OMe3.8414
H33OMe3.8414
H34OMe3.8414
H49B4.1601
H51Ar-OH5.6111

Solvent: Acetone-d6
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BG14.011
C4BB25.391
C10A37.741
C5BA38.221
C2OMe56.154
C3OMe56.204
C13G63.381
C16B83.671
C11B2113.851
C12A2113.991
C8A5115.491
C9B5118.721
C7B6121.371
C6A6122.831
C12A1130.581
C15B1137.461
C17A4145.881
C18B4146.821
C19A3148.051
C22B3151.631
H26BG0.8951
H27BG0.8951
H28BG0.8951
H28BB1.5851
H35BB1.5851
H36BA2.4921
H37BA2.4921
H43A12.911
H44A22.941
H47G3.591
H48G3.591
H50GOH3.7311
H29OMe3.7864
H30OMe3.7864
H31OMe3.7864
H32OMe3.8024
H33OMe3.8024
H34OMe3.8024
H49B4.3081
H40B66.6461
H41A56.721
H39A66.721
H45B26.8161
H42B56.8271
H40A26.9181
H51ArOH7.3331

Solvent: DMSO-d6
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BG13.751
C4BB24.291
C10A36.521
C5BA36.971
C2OMe55.494
C3OMe55.584
C13G61.821
C16B80.831
C11B2112.891
C12A2113.641
C8A5115.191
C9B5115.701
C7B6120.211
C6A6121.631
C12A1129.161
C15B1135.301
C17A4144.791
C18B4145.451
C19A3147.261
C22B3149.691
H26BG0.8561
H27BG0.8561
H28BG0.8561
H28BB1.5311
H35BB1.5311
H36BA2.461
H37BA2.461
H43A12.7331
H44A22.8311
H50GOH4.7611
H29OMe3.6804
H30OMe3.6804
H31OMe3.6804
H32OMe3.7034
H33OMe3.7034
H34OMe3.7034
H49B4.2651
H51Ar-OH8.701