1-(4-Hydroxy-3,5-dimethoxyphenyl)-2-[4-(1-hydroxyethyl)phenoxy]propane-1,3-diol (C19 H24 O7)

bmse010252 Data

Entry STAR file: bmse010252.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: 364.38966

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

Concentration: Saturated (Source: Sally Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

1-(4-Hydroxy-3,5-dimethoxyphenyl)-2-[4-(1-hydroxyethyl)phenoxy]propane-1,3-diol image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BB25.071
C2AOMe56.341
C3AOMe56.341
C10G61.141
C11BA69.751
C18A73.851
C17B82.971
C8A2103.701
C9A6103.701
C6B3116.341
C7B5116.341
C4B2126.841
C5B6126.841
C13A1130.901
C19A4134.561
C12B1139.331
C15A3147.071
C16A5147.071
C14B4157.421

Solvent: Acetone-d6
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BB26.171
C2AOMe56.581
C3AOMe56.581
C10G61.731
C11BA69.501
C18A73.541
C17B84.141
C8A2105.271
C9A6105.271
C6B3116.641
C7B5116.641
C4B2127.151
C5B6127.151
C13A1133.231
C19A4136.001
C12B1140.471
C15A3148.321
C16A5148.321
C14B4158.981
H29BB1.351
H27BB1.351
H28BB1.351
H32A3OMe3.791
H31A3OMe3.791
H30A3OMe3.791
H33A5OMe3.791
H34A5OMe3.791
H35A5OMe3.791
H40A26.771
H41A66.771
H36B27.231
H37B67.231

Solvent: DMSO-d6
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BB25.811
C2AOMe55.821
C3AOMe55.821
C10G60.011
C11BA67.571
C18A71.091
C17B83.011
C8A2104.121
C9A6104.121
C6B3115.341
C7B5115.341
C4B2126.131
C5B6126.131
C13A1132.311
C19A4134.311
C12B1139.211
C15A3147.361
C16A5147.361
C14B4157.691