(+)-Sclareolide

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Properties Simple | Detailed

Formula C16H26O2
IUPAC Name (3ar,5as,9as,9br)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e]benzofuran-2-one
Molecular Mass 250.376 g·mol−1
Heat of Formation -520.5 ± 16.7 kJ·mol−1
Dipole Moment 5.47 ± 1.08 D
Volume 325.84 Å 3
Surface Area 262.09 Å 2
HOMO Energy -10.37 ± 0.55 eV
LUMO Energy 1.27 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar)-()-sclareolide
  • (3ar,5as,9as,9br)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e]benzofuran-2-one
  • (3ar,5as,9as,9br)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydronaphtho[8,7-d]furan-2-one
  • bb_nc-1571
InChIKey IMKJGXCIJJXALX-SHUKQUCYSA-N
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