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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Sinapyl p-coumarate (C20 H20 O6)

bmse010318 Data

Entry STAR file: bmse010318.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: 356.3692

This is of the category: Misc. Compounds

Concentration: Saturated (Source: Stephane Quideau)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Sinapyl p-coumarate image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe56.281
C2OMe56.281
C11G65.151
C12A2103.551
C13A6103.551
C10BB115.151
C8B3115.921
C9B5115.921
C3B121.441
C14B1126.981
C15A1127.841
C5B2129.981
C6B6129.981
C4A134.531
C20A4135.031
C7BA144.911
C17A3147.101
C18A5147.101
C16B4158.061
C19BG167.321

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe56.611
C2OMe56.611
C11G65.421
C12A2105.161
C13A6105.161
C10BB115.521
C8B3116.701
C9B5116.701
C3B122.071
C14B1126.991
C15A1128.221
C5B2130.951
C6B6130.951
C4A135.141
C20A4137.271
C7BA145.451
C17A3148.841
C18A5148.841
C16B4160.621
C19BG167.221
H28OMe3.841
H29OMe3.841
H27OMe3.841
H31OMe3.841
H30OMe3.841
H32OMe3.841
H41G4.781
H42G4.781
H33B6.281
H40BB6.381
H34A6.641
H43A26.791
H44A66.791
H38B36.891
H39B56.891
H35B27.551
H36B67.551
H37BA7.631

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe55.971
C2OMe55.971
C11G64.501
C12A2104.201
C13A6104.201
C10BB114.081
C8B3115.781
C9B5115.781
C3B121.061
C14B1125.081
C15A1126.471
C5B2130.341
C6B6130.341
C4A134.031
C20A4135.801
C7BA144.881
C17A3148.041
C18A5148.041
C16B4159.871
C19BG166.401