(-)-Aristolochene

Molecule SVG Image

Properties Simple | Detailed

Formula C15H24
IUPAC Name (4r,4as,6r)-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 294.65 Å 3
Surface Area 253.25 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 1.27 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,7r,8as)-aristolochene
  • (4r,4as,6r)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene
  • (4r,4as,6r)-6-isopropenyl-4,4a-dimethyl-2,3,4,5,6,7-hexahydro-1h-naphthalene
  • 4betah,5alpha-eremophila-9,11-diene
  • naphthalene, 1,2,3,4,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, (1r-(1alpha,7beta,8aalpha))-
CAS Number(s)
  • 26620-71-3
InChIKey YONHOSLUBQJXPR-NFAWXSAZSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C