(1R,3Ar,4E,6As,7S,9Ar,10Ar)-3A-Hydroxy-7-Isopropenyl-1,9A-Dimethyl-3-Oxo-1,2,3,3A,6,6A,7,8,9,9A,10,10A-Dodecahydrodicyclopenta[A,D][8]Annulene-4-Carbaldehyde

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Formula C20H28O3
IUPAC Name (1r,3ar,4e,6as,7s,9ar,10ar)-3a-hydroxy-7-isopropenyl-1,9a-dimethyl-3-oxo-1,2,3,3a,6,6a,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d][8]annulene-4-carbaldehyde
Molecular Mass 316.435 g·mol−1
Heat of Formation -500.4 ± 16.7 kJ·mol−1
Dipole Moment 4.05 ± 1.08 D
Volume 394.28 Å 3
Surface Area 310.12 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • dicyclopenta(a,d)cyclooctene-4-carboxaldehyde, 1,2,3,3a,6,6a,7,8,9,9a,10,10a-dodecahydro-3a-hydroxy-1,9a-dimethyl-7-(1-methylethenyl)-3-oxo-, (1alpha,3abeta,4e,6aalpha,7beta,9abeta,10abeta)-(-)-
  • traversianal
CAS Number(s)
  • 108605-66-9
InChIKey QXVAWAHULUVLPT-FHIBGDQLSA-N
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