Komaroviquinone

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Properties Simple | Detailed

Formula C21H28O5
IUPAC Name komaroviquinone
Molecular Mass 360.444 g·mol−1
Heat of Formation -826.2 ± 16.7 kJ·mol−1
Dipole Moment 3.50 ± 1.08 D
Volume 437.48 Å 3
Surface Area 353.67 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -1.49 ± eV
Point Group Symmetry C1
Synonyms
  • 4a,10-epoxy-4ah-dibenzo[a,d]cycloheptene-6,9-dione, 1,2,3,4,5,10,11,11a-octahydro-10-hydroxy-7-methoxy-1,1-dimethyl-8-(1-methylethyl)-, (4as,10s,11as)-
  • rel-(4ar,10r,11ar)-10-hydroxy-8-isopropyl-7-methoxy-1,1-dimethyl-1,2,3,4,5,10,11,11a-octahydro-4a,10-epoxydibenzo[a,d][7]annulene-6,9-dione
InChIKey DUWHKUPNNGPNFK-ZEWGMFERSA-N
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