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

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Formula C15H22O4
IUPAC Name (5r,5as,9as,9bs)-5,9b-dihydroxy-6,6,9a-trimethyl-1,5,5a,7,8,9-hexahydrobenzo[e]isobenzofuran-3-one
Molecular Mass 266.333 g·mol−1
Heat of Formation -735.9 ± 16.7 kJ·mol−1
Dipole Moment 7.74 ± 1.08 D
Volume 316.84 Å 3
Surface Area 255.62 Å 2
HOMO Energy -10.38 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,5as,9as,9bs)-5,9b-dihydroxy-6,6,9a-trimethyl-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzoxol-3-one
  • (5r,5as,9as,9bs)-5,9b-dihydroxy-6,6,9a-trimethyl-1,5,5a,7,8,9-hexahydrobenzo[e]isobenzofuran-3-one
  • naphtho(1,2-c)furan-3(1h)-one, 5,5a,6,7,8,9,9a,9b-octahydro-5,9b-dihydroxy-6,6,9a-trimethyl-, (5r-(5alpha,5abeta,9aalpha,9bbeta))-
  • pereniporin b
CAS Number(s)
  • 16772-63-7
InChIKey HLEGAPKZEJEXHT-FDRIWYBQSA-N
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