Biological Magnetic Resonance Data Bank

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

Tanshinone IIA synonyms


Graphical representations:


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Molecular Formula: C19H18O3

Natural Isotopic Abundance Mass: 294.34442

Mono-Isotopic Molecular Masses:

  • C12N14: 294.125594436
  • C13N14: 313.189336358
  • C12N15: 294.125594436
  • C13N15: 313.189336358

InChI string: InChI=1S/C19H18O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,9H,4-5,8H2,1-3H3

IUPAC: 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[8,7-g][1]benzoxole-10,11-dione

PubChem Compound (CID): 164676

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,