BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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acetylated coniferylaldehyde (C12 H12 O4)

bmse010073 Data

Entry STAR file: bmse010073.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: 220.22128

This is of the category: Monomers

Concentration: 60 mg/ml (Source: Sally Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

acetylated coniferylaldehyde image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.571
C2OMe55.981
C82111.551
C56121.821
C65123.491
C3B128.741
C101132.971
C114142.301
C123151.661
C4A151.741
C9AcC=O168.521
C7G193.271

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.431
C2OMe56.441
C82112.651
C56122.681
C65124.251
C3B129.681
C101134.171
C114143.221
C123152.771
C4A152.551
C9AcC=O168.721
C7G193.891
H17AcMe2.251
H18AcMe2.251
H19AcMe2.251
H20OMe3.891
H21OMe3.891
H22OMe3.891
H23B6.791
H2657.151
H2567.291
H2827.491
H24A7.641
H27G9.691

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.281
C2OMe55.991
C82112.081
C56122.041
C65123.321
C3B128.721
C101133.001
C114141.551
C123151.221
C4A152.291
C9AcC=O168.191
C7G194.171