3-{(E)-2-[(1R,4As,5R,6R,8Ar)-6-Hydroxy-5-(Hydroxymethyl)-5,8A-Dimethyl-2-Methylenedecahydro-1-Naphthalenyl]Vinyl}-2(5H)-Furanone

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Properties Simple | Detailed

Formula C20H28O4
IUPAC Name 4-[(e)-2-[(1r,4as,5r,6r,8ar)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-decalin-1-yl]vinyl]-2h-furan-5-one
Molecular Mass 332.434 g·mol−1
Heat of Formation -653.5 ± 16.7 kJ·mol−1
Dipole Moment 2.16 ± 1.08 D
Volume 415.36 Å 3
Surface Area 336.61 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(e)-2-[(1r,4as,5r,6r,8ar)-6-hydroxy-5,8a-dimethyl-2-methylene-5-methylol-decalin-1-yl]vinyl]-5h-furan-2-one
  • 3-[(e)-2-[(1r,4as,5r,6r,8ar)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-decalinyl]vinyl]-5h-furan-2-one
  • 3-[(e)-2-[(1r,4as,5r,6r,8ar)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-decalin-1-yl]vinyl]-5h-furan-2-one
  • 3-[(e)-2-[(1r,4as,5r,6r,8ar)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1h-naphthalen-1-yl]ethenyl]-5h-furan-2-one
  • bb_sc-1440
  • megxp0_000982
InChIKey XMJAJFVLHDIEHF-CRBRZBHVSA-N
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