(1R,5R,5As,9As,9Bs)-6,6,9A-Trimethyl-3,5,5A,6,7,8,9,9A-Octahydronaphtho[1,2-C]Furan-1,5,9B(1H)-Triol

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Properties Simple | Detailed

Formula C15H24O4
IUPAC Name (1r,5r,5as,9as,9bs)-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1h-benzo[g]isobenzofuran-1,5,9b-triol
Molecular Mass 268.349 g·mol−1
Heat of Formation -808.5 ± 16.7 kJ·mol−1
Dipole Moment 0.61 ± 1.08 D
Volume 323.02 Å 3
Surface Area 258.04 Å 2
HOMO Energy -10.02 ± 0.55 eV
LUMO Energy 0.38 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,5r,5as,9as,9bs)-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1h-benzo[e][2]benzoxole-1,5,9b-triol
  • (1r,5r,5as,9as,9bs)-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1h-benzo[g]isobenzofuran-1,5,9b-triol
  • naphtho(1,2-c)furan-1,5,9b(1h)-triol, 3,5,5a,6,7,8,9,9a-octahydro-6,6,9a-trimethyl-, (1r-(1alpha,5beta,5aalpha,9abeta,9balpha))-
  • pereniporin a
CAS Number(s)
  • 103244-42-4
InChIKey FRWRTYDHUNFKOE-MIBAYGRRSA-N
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