(−)-Ambroxide

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Properties Simple | Detailed

Formula C16H28O
IUPAC Name (3ar,5as,9as,9br)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1h-benzo[e]benzofuran
Molecular Mass 236.393 g·mol−1
Heat of Formation -359.5 ± 16.7 kJ·mol−1
Dipole Moment 1.95 ± 1.08 D
Volume 322.34 Å 3
Surface Area 257.63 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy 2.28 ± eV
Point Group Symmetry C1
Synonyms
  • (−)-ambroxide
  • (3ar,5as,9as,9br)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1h-benzo[e]benzofuran
  • (3ar,5as,9as,9br)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1h-naphtho[7,8-b]furan
  • 1,5,5,9-tetramethyl-13-oxatricyclo[8.3.0.04,9]tridecane
InChIKey YPZUZOLGGMJZJO-LQKXBSAESA-N
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