(5As,6S,9R,9Ar)-9-Isopropenyl-6-Methyl-3-Pentyl-5A,6,7,8,9,9A-Hexahydrodibenzo[B,D]Furan-1,6-Diol

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Properties Simple | Detailed

Formula C21H30O3
IUPAC Name (5as,6s,9r,9ar)-9-isopropenyl-6-methyl-3-pentyl-7,8,9,9a-tetrahydro-5ah-dibenzofuran-1,6-diol
Molecular Mass 330.461 g·mol−1
Heat of Formation -604.3 ± 16.7 kJ·mol−1
Dipole Moment 2.55 ± 1.08 D
Volume 432.14 Å 3
Surface Area 368.2 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 0.28 ± eV
Point Group Symmetry C1
Synonyms
  • (5as,6s,9r,9ar)-3-amyl-9-isopropenyl-6-methyl-7,8,9,9a-tetrahydro-5ah-dibenzofuran-1,6-diol
  • (5as,6s,9r,9ar)-6-methyl-3-pentyl-9-prop-1-en-2-yl-7,8,9,9a-tetrahydro-5ah-dibenzofuran-1,6-diol
  • (5as,6s,9r,9ar)-9-isopropenyl-6-methyl-3-pentyl-7,8,9,9a-tetrahydro-5ah-dibenzofuran-1,6-diol
  • 1,6-dibenzofurandiol, 5a,6,7,8,9,9a-hexahydro-6-methyl-9-(1-methylethenyl)-3-pentyl-, (5as-(5aalpha,6alpha,9alpha,9aalpha))-
  • cannabielsoin
  • cannabielsoin a
CAS Number(s)
  • 52025-76-0
  • 54002-78-7
InChIKey RBEAVAMWZAJWOI-MTOHEIAKSA-N
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