4-{(1S,3E)-1-Hydroxy-4-Methyl-6-[(1R,2S,4As,8As)-1,2,4A-Trimethyl-5-Methylenedecahydro-1-Naphthalenyl]-3-Hexen-1-Yl}-2(5H)-Furanone

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Properties Simple | Detailed

Formula C25H38O3
IUPAC Name 3-[(e,1s)-6-[(1r,2s,4as,8as)-1,2,4a-trimethyl-5-methylene-decalin-1-yl]-1-hydroxy-4-methyl-hex-3-enyl]-2h-furan-5-one
Molecular Mass 386.567 g·mol−1
Heat of Formation -600.2 ± 16.7 kJ·mol−1
Dipole Moment 5.82 ± 1.08 D
Volume 515.15 Å 3
Surface Area 413.19 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(e,1s)-6-[(1r,2s,4as,8as)-1,2,4a-trimethyl-5-methylene-1-decalinyl]-1-hydroxy-4-methylhex-3-enyl]-5h-furan-2-one
  • 4-[(e,1s)-6-[(1r,2s,4as,8as)-1,2,4a-trimethyl-5-methylene-decalin-1-yl]-1-hydroxy-4-methyl-hex-3-enyl]-5h-furan-2-one
  • 4-[(e,1s)-6-[(1r,2s,4as,8as)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2h-naphthalen-1-yl]-1-hydroxy-4-methyl-hex-3-enyl]-5h-furan-2-one
  • 4-[(e,1s)-6-[(1r,2s,4as,8as)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2h-naphthalen-1-yl]-1-hydroxy-4-methylhex-3-enyl]-5h-furan-2-one
InChIKey CJOXXTDBRYSHFY-DKOGYBRPSA-N
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