(2R,3S,4E,6R,7S)-6,7-Dihydroxy-2-Methyl-10-Oxo-3,6,7,8,9,10-Hexahydro-2H-Oxecin-3-Yl (2E)-2-Butenoate

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Properties Simple | Detailed

Formula C14H20O6
IUPAC Name [(2r,3s,4e,6r,7s)-6,7-dihydroxy-2-methyl-10-oxo-2,3,6,7,8,9-hexahydrooxecin-3-yl] (e)-but-2-enoate
Molecular Mass 284.305 g·mol−1
Heat of Formation -1065.4 ± 16.7 kJ·mol−1
Dipole Moment 1.84 ± 1.08 D
Volume 340.78 Å 3
Surface Area 302.11 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-but-2-enoic acid [(2r,3s,4e,6r,7s)-6,7-dihydroxy-10-keto-2-methyl-2,3,6,7,8,9-hexahydrooxecin-3-yl] ester
  • (e)-but-2-enoic acid [(2r,3s,4e,6r,7s)-6,7-dihydroxy-2-methyl-10-oxo-2,3,6,7,8,9-hexahydrooxecin-3-yl] ester
  • [(2r,3s,4e,6r,7s)-6,7-dihydroxy-2-methyl-10-oxo-2,3,6,7,8,9-hexahydrooxecin-3-yl] (e)-but-2-enoate
  • aspinolide b
CAS Number(s)
  • 188605-15-4
InChIKey UONWLSGBOITROJ-NYKMOZCUSA-N
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