Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB


V_c_CA synonyms

4-methoxy phenyl coumaran diacetate


Graphical representations:


View large 3D structure

Molecular Formula: C25H28O8

Natural Isotopic Abundance Mass: 456.48502

Mono-Isotopic Molecular Masses:

  • C12N14: 456.1784178756
  • C13N14: 481.2622888206
  • C12N15: 456.1784178756
  • C13N15: 481.2622888206

InChI string: InChI=1S/C25H28O8/c1-15(26)31-10-6-7-17-11-19-20(14-32-16(2)27)24(33-25(19)23(12-17)30-5)18-8-9-21(28-3)22(13-18)29-4/h6-9,11-13,20,24H,10,14H2,1-5H3/b7-6+/t20-,24+/m0/s1

USDA_NMR_database: 221

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,