(3S,3As,6As,9S,10R,10Ar)-3,9,10-Trihydroxy-7,7-Dimethyl-1-Oxo-3,3A,6,6A,7,8,9,10-Octahydronaphtho[1,8A-C]Furan-4-Carbaldehyde

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Properties Simple | Detailed

Formula C15H20O6
IUPAC Name (3s,3as,6as,9s,10r,10ar)-3,9,10-trihydroxy-7,7-dimethyl-1-oxo-3a,6,6a,8,9,10-hexahydro-3h-benzo[d]isobenzofuran-4-carbaldehyde
Molecular Mass 296.316 g·mol−1
Heat of Formation -1058.6 ± 16.7 kJ·mol−1
Dipole Moment 7.82 ± 1.08 D
Volume 333.96 Å 3
Surface Area 268.23 Å 2
HOMO Energy -10.45 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • 3,3a,6,6a,7,8,9,10-octahydro-3,9,10-trihydroxy-7,7-dimethyl-1-oxo-1h-naptho[1,8-c]furan-4-carboxaldehyde, [3s-(3.alpha,3a.alpha.,6a.alpha.,9.alpha.,10.alpha.,10as*)]
  • naphthofuran-cho deriv.
CAS Number(s)
  • 158761-02-5
InChIKey FCQQCKZJCMQQPN-DKCZEEBHSA-N
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