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

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Formula C20H30O3
IUPAC Name 4-[2-[(1r,4as,5r,8as)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-decalin-1-yl]ethyl]-2h-furan-5-one
Molecular Mass 318.450 g·mol−1
Heat of Formation -562.8 ± 16.7 kJ·mol−1
Dipole Moment 3.43 ± 1.08 D
Volume 409.34 Å 3
Surface Area 332.89 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[2-[(1r,4as,5r,8as)-5,8a-dimethyl-2-methylene-5-methylol-decalin-1-yl]ethyl]-5h-furan-2-one
  • 3-[2-[(1r,4as,5r,8as)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-decalinyl]ethyl]-5h-furan-2-one
  • 3-[2-[(1r,4as,5r,8as)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-decalin-1-yl]ethyl]-5h-furan-2-one
  • 3-[2-[(1r,4as,5r,8as)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1h-naphthalen-1-yl]ethyl]-5h-furan-2-one
InChIKey WKKBRRFSRMDTJB-JYBIWHBTSA-N
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