(3As,4R,7As)-6-(Hydroxymethyl)-5-[(2R)-5-Hydroxy-2-Pentanyl]-3-Methylene-2-Oxo-2,3,3A,4,7,7A-Hexahydro-1-Benzofuran-4-Yl Methacrylate

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Properties Simple | Detailed

Formula C19H26O6
IUPAC Name [(3as,4r,7as)-6-(hydroxymethyl)-5-[(1r)-4-hydroxy-1-methyl-butyl]-3-methylene-2-oxo-3a,4,7,7a-tetrahydrobenzofuran-4-yl] 2-methylprop-2-enoate
Molecular Mass 350.406 g·mol−1
Heat of Formation -1044.5 ± 16.7 kJ·mol−1
Dipole Moment 7.67 ± 1.08 D
Volume 436.29 Å 3
Surface Area 332.92 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methylacrylic acid [(3as,4r,7as)-5-[(1r)-4-hydroxy-1-methyl-butyl]-2-keto-3-methylene-6-methylol-3a,4,7,7a-tetrahydrobenzofuran-4-yl] ester
  • 2-methylprop-2-enoic acid [(3as,4r,7as)-6-(hydroxymethyl)-5-[(1r)-4-hydroxy-1-methylbutyl]-3-methylene-2-oxo-3a,4,7,7a-tetrahydrobenzofuran-4-yl] ester
  • [(3as,4r,7as)-6-(hydroxymethyl)-5-[(1r)-4-hydroxy-1-methyl-butyl]-3-methylene-2-oxo-3a,4,7,7a-tetrahydrobenzofuran-4-yl] 2-methylprop-2-enoate
  • [(3as,4r,7as)-6-(hydroxymethyl)-5-[(2r)-5-hydroxypentan-2-yl]-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-4-yl] 2-methylprop-2-enoate
  • eriolanin
CAS Number(s)
  • 52617-36-4
InChIKey IIFHSDMQQLTWKZ-UMPQAUOISA-N
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