1-(4-Hydroxy-3,5-dimethoxyphenyl)-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]propane-1,3-diol (C20 H26 O8)

bmse010249 Data

Entry STAR file: bmse010249.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: 394.41564

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)-2-methoxyphenoxy]propane-1,3-diol image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BB25.241
C2BOMe55.871
C3AOMe56.331
C4AOMe56.331
C10G61.041
C11BA69.951
C19A74.121
C18B89.031
C8A2103.791
C9A6103.791
C7B2109.301
C6B5118.401
C5B6120.271
C13A1130.711
C20A4134.561
C12B1142.021
C14B4146.661
C8A3147.091
C9A5147.091
C15B3150.991

Solvent: Acetone-d6
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BB26.231
C2BOMe56.271
C3AOMe56.591
C4AOMe56.591
C10G61.941
C11BA69.731
C19A74.051
C18B88.501
C8A2105.361
C9A6105.361
C7B2110.581
C6B5118.651
C5B6119.451
C13A1132.801
C20A4136.121
C12B1142.851
C14B4148.271
C8A3148.381
C9A5148.381
C15B3151.381
H29BB1.381
H31BB1.381
H30BB1.381
H33BOMe3.871
H32BOMe3.871
H34BOMe3.871
H37A3OMe3.801
H36A3OMe3.801
H35A3OMe3.801
H38A5OMe3.801
H39A5OMe3.801
H40A5OMe3.801
H54AOH4.501
H44A26.771
H45A66.771

Solvent: DMSO-d6
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BB25.841
C2BOMe55.441
C3AOMe55.731
C4AOMe55.731
C10G59.991
C11BA67.801
C19A70.871
C18B84.391
C8A2104.061
C9A6104.061
C7B2109.651
C6B5115.291
C5B6117.201
C13A1131.931
C20A4134.241
C12B1140.361
C14B4146.731
C8A3147.301
C9A5147.301
C15B3149.231