(3E)-3-{2-[(1R,3S,4Ar,6S,8As)-3,6-Dihydroxy-5,5,8A-Trimethyl-2-Methylenedecahydro-1-Naphthalenyl]Ethylidene}Dihydro-2(3H)-Furanone

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Properties Simple | Detailed

Formula C20H30O4
IUPAC Name (3e)-3-[2-[(1r,3s,4ar,6s,8as)-3,6-dihydroxy-5,5,8a-trimethyl-2-methylene-decalin-1-yl]ethylidene]tetrahydrofuran-2-one
Molecular Mass 334.450 g·mol−1
Heat of Formation -768.0 ± 16.7 kJ·mol−1
Dipole Moment 5.21 ± 1.08 D
Volume 422.2 Å 3
Surface Area 341.4 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy -0.13 ± eV
Point Group Symmetry C1
Synonyms
  • (3e)-3-[2-[(1r,3s,4ar,6s,8as)-3,6-dihydroxy-5,5,8a-trimethyl-2-methylene-1-decalinyl]ethylidene]-2-tetrahydrofuranone
  • (3e)-3-[2-[(1r,3s,4ar,6s,8as)-3,6-dihydroxy-5,5,8a-trimethyl-2-methylene-decalin-1-yl]ethylidene]tetrahydrofuran-2-one
  • (3e)-3-[2-[(1r,3s,4ar,6s,8as)-3,6-dihydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1h-naphthalen-1-yl]ethylidene]oxolan-2-one
InChIKey HIWGZSDNWGIXOJ-TVDCSIBBSA-N
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