(1R,3R,4S,4Ar,6R)-6-Isopropenyl-4,4A-Dimethyl-1,2,3,4,4A,5,6,7-Octahydro-1,3-Naphthalenediol

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Properties Simple | Detailed

Formula C15H24O2
IUPAC Name (1r,3r,4s,4ar,6r)-6-isopropenyl-4,4a-dimethyl-2,3,4,5,6,7-hexahydro-1h-naphthalene-1,3-diol
Molecular Mass 236.350 g·mol−1
Heat of Formation -424.4 ± 16.7 kJ·mol−1
Dipole Moment 1.17 ± 1.08 D
Volume 315.46 Å 3
Surface Area 262.32 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy 3.92 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3r,4s,4ar,6r)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene-1,3-diol
  • (1r,3r,4s,4ar,6r)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1h-naphthalene-1,3-diol
  • (1r,3r,4s,4ar,6r)-6-isopropenyl-4,4a-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene-1,3-diol
  • (1r,3r,4s,4ar,6r)-6-isopropenyl-4,4a-dimethyl-2,3,4,5,6,7-hexahydro-1h-naphthalene-1,3-diol
  • 1,3-naphthalenediol, 1,2,3,4,4a,5,6,7-octahydro-4,4a-dimethyl-6-(1-methylethenyl)-, (1r-(1alpha,3beta,4beta,4aalpha,6alpha))-
  • 1beta,3alpha,4betah-eremophila-9,11-diene-1,3-diol
  • capsidiol
CAS Number(s)
  • 37208-05-2
InChIKey BXXSHQYDJWZXPB-OKNSCYNVSA-N
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