Neo-Dactyloquinone

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Properties Simple | Detailed

Formula C22H28O4
IUPAC Name (4as,6as,12as,12br)-9-methoxy-4a,6a,12a-trimethyl-4-methylene-2,3,5,6,7,12b-hexahydro-1h-naphtho[1,2-b]chromene-8,11-dione
Molecular Mass 356.455 g·mol−1
Heat of Formation -587.2 ± 16.7 kJ·mol−1
Dipole Moment 3.03 ± 1.08 D
Volume 428.66 Å 3
Surface Area 337.59 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,6as,12as,12br)-9-methoxy-4a,6a,12a-trimethyl-4-methylene-2,3,5,6,7,12b-hexahydro-1h-naphtho[8,7-b]chromene-8,11-dione
  • (4as,6as,12as,12br)-9-methoxy-4a,6a,12a-trimethyl-4-methylene-2,3,5,6,7,12b-hexahydro-1h-naphtho[8,7-b]chromene-8,11-quinone
  • (4as,6as,12as,12br)-9-methoxy-4a,6a,12a-trimethyl-4-methylidene-2,3,5,6,7,12b-hexahydro-1h-naphtho[8,7-b]chromene-8,11-dione
  • 1h-benzo[c]xanthene-8,11-dione, 2,3,4,4a,5,6,6a,7,12a,12b-decahydro-9-methoxy-4a,6a,12a-trimethyl-4-methylene-, (4as,6as,12as,12br)-
  • 9-methoxy-4a,6a,12a-trimethyl-4-methylene-2,3,4,4a,5,6,6a,7,12a,12b-decahydro-1h-benzo[c]xanthene-8,11-dione
  • neodactyloquinone
  • rel-(4ar,6ar,12ar,12bs)-9-methoxy-4a,6a,12a-trimethyl-4-methylene-2,3,4,4a,5,6,6a,7,12a,12b-decahydro-1h-benzo[c]xanthene-8,11-dione
InChIKey FDSDIYQHKYXSBM-YCZSINBZSA-N
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