(2S,3R,4Ar,5S,8Ar)-1,1,4A-Trimethyl-6-Methylene-5-[(2E)-3-Methyl-2,4-Pentadien-1-Yl]Decahydro-2,3-Naphthalenediol

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Properties Simple | Detailed

Formula C20H32O2
IUPAC Name (2s,3r,4ar,5s,8ar)-1,1,4a-trimethyl-6-methylene-5-[(2e)-3-methylpenta-2,4-dienyl]decalin-2,3-diol
Molecular Mass 304.467 g·mol−1
Heat of Formation -431.9 ± 16.7 kJ·mol−1
Dipole Moment 2.44 ± 1.08 D
Volume 411.14 Å 3
Surface Area 334.38 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 0.26 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4ar,8s,8ar)-4,4,8a-trimethyl-7-methylidene-8-[(2e)-3-methylpenta-2,4-dienyl]-2,3,4a,5,6,8-hexahydro-1h-naphthalene-2,3-diol
  • (2s,3r,4ar,5s,8ar)-1,1,4a-trimethyl-6-methylene-5-[(2e)-3-methylpenta-2,4-dienyl]decalin-2,3-diol
  • 1,1,4a-trimethyl-6-methylene-5-(3-methyl-penta-2,4-dienyl)-decahydro-naphthalene-2,3-diol
  • 2,3-naphthalenediol, decahydro-1,1,4a-trimethyl-6-methylene-5-[(2e)-3-methyl-2,4-pentadienyl]-, (2s,3r,4ar,5s,8ar)-
  • 2alpha,3alpha-dihydroxy-labda-8(17),12(13),14(15)-triene
  • rel-(2r,3s,4as,5r,8as)-1,1,4a-trimethyl-6-methylene-5-[(2e)-3-methylpenta-2,4-dien-1-yl]decahydronaphthalene-2,3-diol
InChIKey CYVDNLSWCPUNBX-DRAJZTDBSA-N
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