(3Ar,4S,7Ar)-6-(Hydroxymethyl)-5-[(2S)-5-Hydroxy-2-Pentanyl]-3-Methylene-2-Oxo-2,3,3A,4,7,7A-Hexahydro-1-Benzofuran-4-Yl (2Z)-2-Methyl-2-Butenoate

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Properties Simple | Detailed

Formula C20H28O6
IUPAC Name [(3ar,4s,7ar)-6-(hydroxymethyl)-5-[(1s)-4-hydroxy-1-methyl-butyl]-3-methylene-2-oxo-3a,4,7,7a-tetrahydrobenzofuran-4-yl] (z)-2-methylbut-2-enoate
Molecular Mass 364.433 g·mol−1
Heat of Formation -1075.0 ± 16.7 kJ·mol−1
Dipole Moment 6.30 ± 1.08 D
Volume 451.41 Å 3
Surface Area 349.33 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-2-methylbut-2-enoic acid [(3ar,4s,7ar)-5-[(1s)-4-hydroxy-1-methyl-butyl]-2-keto-3-methylene-6-methylol-3a,4,7,7a-tetrahydrobenzofuran-4-yl] ester
  • (z)-2-methylbut-2-enoic acid [(3ar,4s,7ar)-6-(hydroxymethyl)-5-[(1s)-4-hydroxy-1-methylbutyl]-3-methylene-2-oxo-3a,4,7,7a-tetrahydrobenzofuran-4-yl] ester
  • [(3ar,4s,7ar)-6-(hydroxymethyl)-5-[(1s)-4-hydroxy-1-methyl-butyl]-3-methylene-2-oxo-3a,4,7,7a-tetrahydrobenzofuran-4-yl] (z)-2-methylbut-2-enoate
  • [(3ar,4s,7ar)-6-(hydroxymethyl)-5-[(2s)-5-hydroxypentan-2-yl]-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-4-yl] (z)-2-methylbut-2-enoate
  • eriolangin
CAS Number(s)
  • 52617-35-3
InChIKey FCDRLRIIZKINNV-WLHXTXINSA-N
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