7-{(1S,4R,5S,6R)-6-[(1E,3S)-3-Hydroxy-1-Octen-1-Yl]-2-Oxabicyclo[2.2.1]Hept-5-Yl}Heptanoic Acid

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Properties Simple | Detailed

Formula C21H36O4
IUPAC Name 7-[(1r,2s,3r,4s)-3-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid
Molecular Mass 352.508 g·mol−1
Heat of Formation -954.6 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 475.89 Å 3
Surface Area 357.87 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy 0.68 ± eV
Point Group Symmetry C1
Synonyms
  • 11,9-epoxymethano-pgh1
  • 11,9-epoxymethanoprostaglandin h1
  • 2-oxabicyclo(2.2.1)heptane-5-heptanoic acid, 6-(3-hydroxy-1-octenyl)-, (1alpha,4alpha,5beta,6alpha(1e,3s*))-(+-)-
  • 7-[(1r,4s,5r,6s)-5-[(e,3s)-3-hydroxyoct-1-enyl]-3-oxabicyclo[2.2.1]heptan-6-yl]enanthic acid
  • 7-[(1r,4s,5r,6s)-5-[(e,3s)-3-hydroxyoct-1-enyl]-3-oxabicyclo[2.2.1]heptan-6-yl]heptanoic acid
CAS Number(s)
  • 72517-81-8
InChIKey VGRVXLWYKKBTNM-XLGWHITOSA-N
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