7-{(1R,2R)-2-[(1E,3S)-3-(1-Butylcyclobutyl)-3-Hydroxy-1-Propen-1-Yl]-5-Oxocyclopentyl}Heptanoic Acid

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Properties Simple | Detailed

Formula C23H38O4
IUPAC Name 7-[(1r,2r)-2-[(e,3s)-3-(1-butylcyclobutyl)-3-hydroxy-prop-1-enyl]-5-oxo-cyclopentyl]heptanoic acid
Molecular Mass 378.545 g·mol−1
Heat of Formation -937.5 ± 16.7 kJ·mol−1
Dipole Moment 3.07 ± 1.08 D
Volume 520.05 Å 3
Surface Area 452.26 Å 2
HOMO Energy -9.94 ± 0.55 eV
LUMO Energy 0.50 ± eV
Point Group Symmetry C1
Synonyms
  • 11-deoxy-16,16-trimethyleneprostaglandin e1
  • 7-[(1r,2r)-2-[(e,3s)-3-(1-butylcyclobutyl)-3-hydroxy-prop-1-enyl]-5-keto-cyclopentyl]enanthic acid
  • 7-[(1r,2r)-2-[(e,3s)-3-(1-butylcyclobutyl)-3-hydroxy-prop-1-enyl]-5-oxo-cyclopentyl]heptanoic acid
  • 7-[(1r,2r)-2-[(e,3s)-3-(1-butylcyclobutyl)-3-hydroxyprop-1-enyl]-5-oxocyclopentyl]heptanoic acid
  • cyclopentaneheptanoic acid, 2-(3-(1-butylcyclobutyl)-3-hydroxy-1-propenyl)-5-oxo-, (1alpha,2beta(1e,3s*))-(+-)-
CAS Number(s)
  • 62407-92-5
InChIKey HIZKSBVCUYYKMS-GOOMNDMLSA-N
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