Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Lignin_cw_compound_2064 synonyms

Dihydrosinapyl dihydro-p-coumarate


Graphical representations:


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Molecular Formula: C20H24O6

Natural Isotopic Abundance Mass: 360.40096

Mono-Isotopic Molecular Masses:

  • C12N14: 360.157288503
  • C13N14: 380.224385259
  • C12N15: 360.157288503
  • C13N15: 380.224385259

InChI string: InChI=1S/C20H24O6/c1-24-17-12-15(13-18(25-2)20(17)23)4-3-11-26-19(22)10-7-14-5-8-16(21)9-6-14/h5-6,8-9,12-13,21,23H,3-4,7,10-11H2,1-2H3

USDA_NMR_database: 2064

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,