(+)-Aristolochene

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Formula C15H24
IUPAC Name (4s,4ar,6s)-6-isopropenyl-4,4a-dimethyl-2,3,4,5,6,7-hexahydro-1h-naphthalene
Molecular Mass 204.351 g·mol−1
Heat of Formation -91.1 ± 16.7 kJ·mol−1
Dipole Moment 0.99 ± 1.08 D
Volume 292.41 Å 3
Surface Area 250.42 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 1.27 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,7s,8ar)-aristolochene
  • (4s,4ar,6s)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene
  • (4s,4ar,6s)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1h-naphthalene
  • (4s,4ar,6s)-6-isopropenyl-4,4a-dimethyl-2,3,4,5,6,7-hexahydro-1h-naphthalene
  • 7betah-eremophila-9,11-diene
  • aristolochene
CAS Number(s)
  • 123408-96-8
InChIKey YONHOSLUBQJXPR-KCQAQPDRSA-N
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