(3R,3Ar,9S,9Ar,9Bs)-3,9,9A-Trimethyl-3A,4,5,7,8,9,9A,9B-Octahydronaphtho[1,2-B]Furan-2(3H)-One

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Formula C15H22O2
IUPAC Name (3r,3ar,9s,9ar,9bs)-3,9,9a-trimethyl-3,3a,4,5,7,8,9,9b-octahydrobenzo[g]benzofuran-2-one
Molecular Mass 234.334 g·mol−1
Heat of Formation -444.4 ± 16.7 kJ·mol−1
Dipole Moment 4.54 ± 1.08 D
Volume 300.7 Å 3
Surface Area 255.81 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 1.17 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,3ar,9s,9ar,9bs)-3,9,9a-trimethyl-3,3a,4,5,7,8,9,9b-octahydrobenzo[g]benzofuran-2-one
  • (3r,3ar,9s,9ar,9bs)-3,9,9a-trimethyl-3,3a,4,5,7,8,9,9b-octahydronaphtho[3,4-d]furan-2-one
  • 3,9,9a-trimethyl-3a,4,5,7,8,9,9a,9b-octahydro-3h-naphtho[1,2-b]furan-2-one
  • 5-epidilatanolide a
  • naphtho[1,2-b]furan-2(3h)-one, 3a,4,5,7,8,9,9a,9b-octahydro-3,9,9a-trimethyl-, (3ar,9s,9ar,9bs)-
  • rel-(3r,3ar,9s,9ar,9bs)-3,9,9a-trimethyl-3a,4,5,7,8,9,9a,9b-octahydronaphtho[1,2-b]furan-2(3h)-one
InChIKey PDQLBZJQPLHGHY-WXCPYFSPSA-N
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