1,2-diguaiacylpropane-1,3-diol (C17 H20 O6)

bmse010100 Data

Entry STAR file: bmse010100.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: 320.3371

This is of the category: b-1 Dimers

Concentration: 30 mg/ml (Source: Sally Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

1,2-diguaiacylpropane-1,3-diol image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C12B55.601
C1OMe55.901
C2OMe55.901
C9G64.251
C17A75.781
C8A2109.061
C7B2111.801
C6A5113.981
C5B5114.581
C4A6119.701
C3B6121.541
C10B1130.291
C11A1133.991
C13B4144.971
C14A4145.321
C15B3146.531
C16A3146.631

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C12B56.461
C1OMe56.054
C2OMe56.154
C9G64.421
C17A74.861
C8A2111.181
C7B2114.181
C6A5114.821
C5B5115.011
C4A6119.921
C3B6123.001
C10B1132.171
C11A1136.591
C13B4145.911
C14A4146.121
C15B3147.541
C16A3147.601
H25OMe3.674
H26OMe3.674
H24OMe3.674
H29OMe3.724
H27OMe3.724
H28OMe3.724
H38B2.941
H39A5.021

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C12B54.691
C1OMe54.874
C2OMe55.064
C9G62.201
C17A71.961
C8A2110.271
C7B2113.461
C6A5113.981
C5B5114.031
C4A6118.131
C3B6121.321
C10B1130.961
C11A1135.491
C13B4144.131
C14A4144.361
C15B3146.051
C16A3146.241