(3Z,3As,5Ar,9Ar,9Bs)-3A,6,6,9A-Tetramethyl-3-[(3E,5E)-6-(3-Methyl-2-Oxo-2H-Pyran-6-Yl)-3,5-Heptadien-2-Ylidene]Decahydro-1H-Cyclopenta[A]Naphthalene-2,7-Dione

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Properties Simple | Detailed

Formula C30H38O4
IUPAC Name (3z,3as,5ar,9ar,9bs)-3a,6,6,9a-tetramethyl-3-[(2e,4e)-1-methyl-5-(5-methyl-6-oxo-pyran-2-yl)hexa-2,4-dienylidene]-4,5,5a,8,9,9b-hexahydro-1h-cyclopenta[a]naphthalene-2,7-dione
Molecular Mass 462.620 g·mol−1
Heat of Formation -618.2 ± 16.7 kJ·mol−1
Dipole Moment 4.14 ± 1.08 D
Volume 587.44 Å 3
Surface Area 472.62 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • (3z,3as,5ar,9ar,9bs)-3-[(2e,4e)-5-(6-keto-5-methyl-pyran-2-yl)-1-methyl-hexa-2,4-dienylidene]-3a,6,6,9a-tetramethyl-4,5,5a,8,9,9b-hexahydro-1h-benzo[g]indene-2,7-quinone
  • (3z,3as,5ar,9ar,9bs)-3a,6,6,9a-tetramethyl-3-[(2e,4e)-1-methyl-5-(5-methyl-6-oxo-2-pyranyl)hexa-2,4-dienylidene]-4,5,5a,8,9,9b-hexahydro-1h-benzo[g]indene-2,7-dione
  • (3z,3as,5ar,9ar,9bs)-3a,6,6,9a-tetramethyl-3-[(2e,4e)-1-methyl-5-(5-methyl-6-oxo-pyran-2-yl)hexa-2,4-dienylidene]-4,5,5a,8,9,9b-hexahydro-1h-benzo[g]indene-2,7-dione
  • (3z,3as,5ar,9ar,9bs)-3a,6,6,9a-tetramethyl-3-[(3e,5e)-6-(5-methyl-6-oxo-pyran-2-yl)hepta-3,5-dien-2-ylidene]-4,5,5a,8,9,9b-hexahydro-1h-benzo[g]indene-2,7-dione
  • (3z,3as,5ar,9ar,9bs)-3a,6,6,9a-tetramethyl-3-[(3e,5e)-6-(5-methyl-6-oxopyran-2-yl)hepta-3,5-dien-2-ylidene]-4,5,5a,8,9,9b-hexahydro-1h-benzo[g]indene-2,7-dione
InChIKey CXOJYPVZDPNKAI-PNAQCZNYSA-N
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