4-{(2R,4Ar,5R,6R,7As)-6-Hydroxy-5-[(1E,3R)-3-Hydroxy-4-Phenoxy-1-Buten-1-Yl]Octahydrocyclopenta[B]Pyran-2-Yl}Butanoic Acid

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Properties Simple | Detailed

Formula C22H30O6
IUPAC Name 4-[(2r,4ar,5r,6r,7as)-6-hydroxy-5-[(e,3r)-3-hydroxy-4-phenoxy-but-1-enyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl]butanoic acid
Molecular Mass 390.470 g·mol−1
Heat of Formation -1109.0 ± 16.7 kJ·mol−1
Dipole Moment 2.32 ± 1.08 D
Volume 484.09 Å 3
Surface Area 381.5 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (5alpha)-5,9-epoxy-16-phenoxy pgf(1)
  • 4-[(2r,4ar,5r,6r,7as)-6-hydroxy-5-[(e,3r)-3-hydroxy-4-(phenoxy)but-1-enyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[e]pyran-2-yl]butanoic acid
  • 4-[(2r,4ar,5r,6r,7as)-6-hydroxy-5-[(e,3r)-3-hydroxy-4-(phenoxy)but-1-enyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[e]pyran-2-yl]butyric acid
  • 5,9-e-16-p-pgf1
  • 5,9-epoxy-16-phenoxy-pgf1
  • 5,9-epoxy-16-phenoxy-prostaglandin f1
  • 5alpha,9-epoxy-pgf1
  • 5alpha,9-epoxy-prostaglandin f1
  • cyclopenta(b)pyran-2-butanoic acid, octahydro-6-hydroxy-5-(3-hydroxy-4-phenoxy-1-butenyl)-, (2r-(2alpha,4abeta,5beta(1e,3r*),6alpha,7abeta))-
CAS Number(s)
  • 72657-07-9
InChIKey FTBNLUSUCXCIGD-OVCPVMRKSA-N
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