Isoagatholactone

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Properties Simple | Detailed

Formula C20H30O2
IUPAC Name (3as,3br,5as,9as,9br)-3b,6,6,9a-tetramethyl-3,3a,4,5,5a,7,8,9,9b,10-decahydronaphtho[2,1-e]isobenzofuran-1-one
Molecular Mass 302.451 g·mol−1
Heat of Formation -462.9 ± 16.7 kJ·mol−1
Dipole Moment 6.15 ± 1.08 D
Volume 385.71 Å 3
Surface Area 301.94 Å 2
HOMO Energy -10.03 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
Synonyms
  • (3as,3br,5as,9as,9br)-3b,6,6,9a-tetramethyl-3,3a,4,5,5a,7,8,9,9b,10-decahydronaphtho[7,8-e][2]benzoxol-1-one
  • (3as,3br,5as,9as,9br)-3b,6,6,9a-tetramethyl-3,3a,4,5,5a,7,8,9,9b,10-decahydronaphtho[7,8-e]isobenzofuran-1-one
InChIKey DCFIJMVSAFTYKV-MWTROVGWSA-N
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