13-Epi-Sclareol

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Properties Simple | Detailed

Formula C20H36O2
IUPAC Name (1r,2r,4as,8as)-1-[(3s)-3-hydroxy-3-methyl-pent-4-enyl]-2,5,5,8a-tetramethyl-decalin-2-ol
Molecular Mass 308.499 g·mol−1
Heat of Formation -617.3 ± 16.7 kJ·mol−1
Dipole Moment 0.22 ± 1.08 D
Volume 426.29 Å 3
Surface Area 333.96 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy 1.01 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,4as,8as)-1-[(3s)-3-hydroxy-3-methyl-pent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1h-naphthalen-2-ol
  • (1r,2r,4as,8as)-1-[(3s)-3-hydroxy-3-methyl-pent-4-enyl]-2,5,5,8a-tetramethyl-decalin-2-ol
  • (1r,2r,4as,8as)-1-[(3s)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-2-decalinol
  • (1r,2r,4as,8as)-1-[(3s)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1h-naphthalen-2-ol
InChIKey XVULBTBTFGYVRC-GRLGQGAKSA-N
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