(11α,13E,15R)-11,15-Dihydroxy-16,16-Dimethyl-9-Oxoprost-13-En-1-Oic Acid

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Properties Simple | Detailed

Formula C22H38O5
IUPAC Name 7-[(1r,2r,3r)-3-hydroxy-2-[(e,3r)-3-hydroxy-4,4-dimethyl-oct-1-enyl]-5-oxo-cyclopentyl]heptanoic acid
Molecular Mass 382.534 g·mol−1
Heat of Formation -1203.4 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 522.27 Å 3
Surface Area 419.12 Å 2
HOMO Energy -10.07 ± 0.55 eV
LUMO Energy 0.42 ± eV
Point Group Symmetry C1
Synonyms
  • 16,16-dimethyl-pge1
  • 16,16-dimethylprostaglandin e
  • 7-[(1r,2r,3r)-3-hydroxy-2-[(e,3r)-3-hydroxy-4,4-dimethyl-oct-1-enyl]-5-keto-cyclopentyl]enanthic acid
  • 7-[(1r,2r,3r)-3-hydroxy-2-[(e,3r)-3-hydroxy-4,4-dimethyl-oct-1-enyl]-5-oxo-cyclopentyl]heptanoic acid
  • 7-[(1r,2r,3r)-3-hydroxy-2-[(e,3r)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid
  • 9-oxo-11r,15s-dihydroxy-16,16-dimethyl-13e-prostaenoic acid
  • lmfa03010057
  • prost-13-en-1-oic acid, 11,15-dihydroxy-16,16-dimethyl-9-oxo-, (11alpha,13e,15r)-
CAS Number(s)
  • 41692-15-3
InChIKey RQOFITYRYPQNLL-ZWSAOQBFSA-N
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