Lignin_cw_compound_265 (C14 H16 O6)

bmse010175 Data

Entry STAR file: bmse010175.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: 280.27324

This is of the category: Monomers

Concentration: Saturated (Source: Irwin A. Pearl)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_265 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G17.161
C2BAcMe20.561
C34AcMe20.661
C4OMe56.021
C8B71.231
C72112.091
C56121.551
C65122.971
C111133.031
C124144.221
C133151.661
C104AcC=O168.311
C9BAcC=O170.321
C14A195.651
H23G1.531
H21G1.531
H22G1.531
H25BAcMe2.141
H24BAcMe2.141
H26BAcMe2.141
H284AcMe2.331
H274AcMe2.331
H294AcMe2.331
H30OMe3.891
H31OMe3.891
H32OMe3.891
H36B3.931
H3457.141
H3367.551
H3527.591

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G17.411
C2BAcMe20.471
C34AcMe20.541
C4OMe56.461
C8B72.211
C72112.791
C56122.341
C65124.101
C111134.071
C124145.251
C133152.721
C104AcC=O168.621
C9BAcC=O170.541
C14A196.211
H23G1.481
H21G1.481
H22G1.481
H25BAcMe2.061
H24BAcMe2.061
H26BAcMe2.061
H284AcMe2.271
H274AcMe2.271
H294AcMe2.271
H30OMe3.901
H31OMe3.901
H32OMe3.901
H36B6.001
H3457.231
H3527.641
H3367.661

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G16.901
C2BAcMe20.261
C34AcMe20.261
C4OMe55.941
C8B71.261
C72111.851
C56121.561
C65123.321
C111132.461
C124143.691
C133151.231
C104AcC=O168.021
C9BAcC=O169.741
C14A195.521