(3As,5Ar,9R,9As,9Bs)-9-Hydroxy-5A,9-Dimethyl-3-Methylenedecahydronaphtho[1,2-B]Furan-2(3H)-One

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Formula C15H22O3
IUPAC Name (3as,5ar,9r,9as,9bs)-9-hydroxy-5a,9-dimethyl-3-methylene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g]benzofuran-2-one
Molecular Mass 250.333 g·mol−1
Heat of Formation -588.3 ± 16.7 kJ·mol−1
Dipole Moment 6.14 ± 1.08 D
Volume 310.47 Å 3
Surface Area 259.34 Å 2
HOMO Energy -10.18 ± 0.55 eV
LUMO Energy 2.75 ± eV
Point Group Symmetry C1
Synonyms
  • (3as,5ar,9r,9as,9bs)-9-hydroxy-5a,9-dimethyl-3-methylene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g]benzofuran-2-one
  • (3as,5ar,9r,9as,9bs)-9-hydroxy-5a,9-dimethyl-3-methylidene-3a,4,5,6,7,8,9a,9b-octahydronaphtho[3,4-d]furan-2-one
CAS Number(s)
  • 27652-22-8
InChIKey BVRDNJZFYKHRJQ-CWFCOSEVSA-N
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