Cryptotanshinone

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Properties Simple | Detailed

Formula C19H20O3
IUPAC Name (1r)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1h-naphtho[1,2-g]benzofuran-10,11-dione
Molecular Mass 296.360 g·mol−1
Heat of Formation -381.1 ± 16.7 kJ·mol−1
Dipole Moment 5.18 ± 1.08 D
Volume 352.72 Å 3
Surface Area 303.77 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-cryptotanshinone
  • (1r)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1h-naphtho[8,7-g][1]benzoxole-10,11-dione
  • (1r)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1h-naphtho[8,7-g]benzofuran-10,11-dione
  • (1r)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1h-naphtho[8,7-g]benzofuran-10,11-quinone
  • bb_nc-1574
  • phenanthro(1,2-b)furan-10,11-dione, 1,2,6,7,8,9-hexahydro-1,6,6-trimethyl-, (r)-
  • phenanthro[1,2-b]furan-10,11-dione, 1,2,6,7,8,9-hexahydro-1,6,6-trimethyl-, (1r)-
CAS Number(s)
  • 35825-57-1
  • 4733-35-1
InChIKey GVKKJJOMQCNPGB-JTQLQIEISA-N
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