Eremophilenolide

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Properties Simple | Detailed

Formula C15H22O2
IUPAC Name (4ar,5s,8ar,9as)-3,4a,5-trimethyl-4,5,6,7,8,8a,9,9a-octahydrobenzo[f]benzofuran-2-one
Molecular Mass 234.334 g·mol−1
Heat of Formation -446.7 ± 16.7 kJ·mol−1
Dipole Moment 5.77 ± 1.08 D
Volume 301.48 Å 3
Surface Area 250.56 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (4ar,5s,8ar,9as)-3,4a,5-trimethyl-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzoxol-2-one
  • (4ar,5s,8ar,9as)-3,4a,5-trimethyl-4,5,6,7,8,8a,9,9a-octahydrobenzo[f]benzofuran-2-one
CAS Number(s)
  • 4871-90-3
InChIKey AEQDXSFIHGWHDV-XPGAZNKBSA-N
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DOI
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