Sclareol

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Properties Simple | Detailed

Formula C20H36O2
IUPAC Name (1r,2r,4as,8as)-1-[(3r)-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 -612.0 ± 16.7 kJ·mol−1
Dipole Moment 3.73 ± 1.08 D
Volume 426.56 Å 3
Surface Area 331.11 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy 0.99 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,4as,8as)-1-[(3r)-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-[(3r)-3-hydroxy-3-methyl-pent-4-enyl]-2,5,5,8a-tetramethyl-decalin-2-ol
  • (1r,2r,4as,8as)-1-[(3r)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-2-decalinol
  • (1r,2r,4as,8as)-1-[(3r)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1h-naphthalen-2-ol
  • 1-naphthalenepropanol, alpha-ethenyldecahydro-2-hydroxy-alpha,2,5,5,8a-pentamethyl-, (alphar,1r,2r,4as,8as)-: (1r,2r,4as,8as)-1-[(3r)-3-hydroxy-3-methylpent-4-en-1-yl]-2,5,5,8a-tetramethyldecahydronaphthalen-2-ol
InChIKey XVULBTBTFGYVRC-HHUCQEJWSA-N
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