(4R,5S,8S,9Z)-9-Ethylidene-5,8-Dihydroxy-4-Propyl-4,5,7,8,9,10-Hexahydro-1H-Cyclonona[C]Furan-1,3,6-Trione

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Formula C16H20O6
IUPAC Name (4r,5s,8s,9z)-9-ethylidene-5,8-dihydroxy-4-propyl-5,7,8,10-tetrahydro-4h-cyclonona[c]furan-1,3,6-trione
Molecular Mass 308.326 g·mol−1
Heat of Formation -993.6 ± 16.7 kJ·mol−1
Dipole Moment 5.80 ± 1.08 D
Volume 358.37 Å 3
Surface Area 289.31 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,6s,7z)-7-ethylidene-3,6-dihydroxy-2-propyl-11-oxabicyclo[7.3.0]dodec-1(9)-ene-4,10,12-trione
  • 14-dihydroxycornestin
  • cornexistin
CAS Number(s)
  • 123068-35-9
InChIKey ILMHTGUGRLGMCR-LRIVTRFWSA-N
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