(5Z)-7-{(1S,4R,5R,6R)-6-[(1E)-3-Oxo-1-Octen-1-Yl]-2,3-Dioxabicyclo[2.2.1]Hept-5-Yl}-5-Heptenoic Acid

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Properties Simple | Detailed

Formula C20H30O5
IUPAC Name (z)-7-[(1r,4s,5r,6r)-5-[(e)-3-oxooct-1-enyl]-2,3-dioxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid
Molecular Mass 350.449 g·mol−1
Heat of Formation -695.9 ± 16.7 kJ·mol−1
Dipole Moment 5.74 ± 1.08 D
Volume 451.59 Å 3
Surface Area 339.37 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-7-[(1r,2r,3r,4s)-3-[(e)-3-ketooct-1-enyl]-5,6-dioxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
  • (z)-7-[(1r,2r,3r,4s)-3-[(e)-3-oxooct-1-enyl]-5,6-dioxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
  • 15-keto-9,11-peroxidoprosta-5,13-dienoic acid
  • 15-keto-pgg(2)
  • 15-ketoprostaglandin g2
  • prosta-5,13-dien-1-oic acid, 9,11-epidioxy-15-oxo-, (5z,9alpha,11alpha,13e)-
CAS Number(s)
  • 70711-59-0
InChIKey YRIVQVSRRMGLNH-FXTQVQBVSA-N
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