Biological Magnetic Resonance Data Bank

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

Daphnetin Diacetate synonyms


Graphical representations:


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Molecular Formula: C13H10O6

Natural Isotopic Abundance Mass: 262.2149

Mono-Isotopic Molecular Masses:

  • C12N14: 262.04773804
  • C13N14: 275.091350934
  • C12N15: 262.04773804
  • C13N15: 275.091350934

InChI string: InChI=1S/C13H10O6/c1-7(14)17-10-5-3-9-4-6-11(16)19-12(9)13(10)18-8(2)15/h3-6H,1-2H3

IUPAC: (7-acetyloxy-2-oxochromen-8-yl) acetate

PubChem Compound (CID): 327277

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,