(2R,3R,4S,4As,8As)-4-[(3E,6S)-6-Hydroxy-3-Methyl-6-(5-Oxo-2,5-Dihydro-3-Furanyl)-3-Hexen-1-Yl]-3,4,8A-Trimethyl-8-Methylenedecahydro-2-Naphthalenyl Acetate

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Properties Simple | Detailed

Formula C27H40O5
IUPAC Name [(2r,3r,4s,4as,8as)-4-[(e,6s)-6-hydroxy-3-methyl-6-(5-oxo-2h-furan-3-yl)hex-3-enyl]-3,4,8a-trimethyl-8-methylene-decalin-2-yl] acetate
Molecular Mass 444.604 g·mol−1
Heat of Formation -983.9 ± 16.7 kJ·mol−1
Dipole Moment 5.53 ± 1.08 D
Volume 573.59 Å 3
Surface Area 459.24 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3r,4s,4as,8as)-4-[(e,6s)-6-hydroxy-3-methyl-6-(5-oxo-2h-furan-3-yl)hex-3-enyl]-3,4,8a-trimethyl-8-methylene-decalin-2-yl] acetate
  • [(2r,3r,4s,4as,8as)-4-[(e,6s)-6-hydroxy-3-methyl-6-(5-oxo-2h-furan-3-yl)hex-3-enyl]-3,4,8a-trimethyl-8-methylidene-2,3,4a,5,6,7-hexahydro-1h-naphthalen-2-yl] acetate
  • [(2r,3r,4s,4as,8as)-4-[(e,6s)-6-hydroxy-3-methyl-6-(5-oxo-2h-furan-3-yl)hex-3-enyl]-3,4,8a-trimethyl-8-methylidene-2,3,4a,5,6,7-hexahydro-1h-naphthalen-2-yl] ethanoate
  • acetic acid [(2r,3r,4s,4as,8as)-4-[(e,6s)-6-hydroxy-3-methyl-6-(5-oxo-2h-furan-3-yl)hex-3-enyl]-3,4,8a-trimethyl-8-methylene-2-decalinyl] ester
  • acetic acid [(2r,3r,4s,4as,8as)-4-[(e,6s)-6-hydroxy-6-(5-keto-2h-furan-3-yl)-3-methyl-hex-3-enyl]-3,4,8a-trimethyl-8-methylene-decalin-2-yl] ester
  • thorectandrol c
InChIKey DHZHHHTYJVQJEJ-XCPANETMSA-N
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