3-{(1R)-1-Hydroxy-2-[(1S,4As,8As)-5,5,8A-Trimethyl-2-Methylenedecahydro-1-Naphthalenyl]Ethyl}-2(5H)-Furanone

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Properties Simple | Detailed

Formula C20H30O3
IUPAC Name 4-[(1r)-2-[(1s,4as,8as)-5,5,8a-trimethyl-2-methylene-decalin-1-yl]-1-hydroxy-ethyl]-2h-furan-5-one
Molecular Mass 318.450 g·mol−1
Heat of Formation -579.5 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 407.11 Å 3
Surface Area 329.05 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(1r)-2-[(1s,4as,8as)-5,5,8a-trimethyl-2-methylene-1-decalinyl]-1-hydroxyethyl]-5h-furan-2-one
  • 3-[(1r)-2-[(1s,4as,8as)-5,5,8a-trimethyl-2-methylene-decalin-1-yl]-1-hydroxy-ethyl]-5h-furan-2-one
  • 3-[(1r)-2-[(1s,4as,8as)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1h-naphthalen-1-yl]-1-hydroxy-ethyl]-5h-furan-2-one
  • 3-[(1r)-2-[(1s,4as,8as)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1h-naphthalen-1-yl]-1-hydroxyethyl]-5h-furan-2-one
InChIKey NNNUJNWMFLYQTF-PFRQMTDMSA-N
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