(13E,15S)-15-Hydroxy-10,10-Dimethyl-6,9-Dioxoprost-13-En-1-Oic Acid

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Properties Simple | Detailed

Formula C22H36O5
IUPAC Name 7-[(1r,5r)-5-[(e,3s)-3-hydroxyoct-1-enyl]-3,3-dimethyl-2-oxo-cyclopentyl]-6-oxo-heptanoic acid
Molecular Mass 380.518 g·mol−1
Heat of Formation -1205.4 ± 16.7 kJ·mol−1
Dipole Moment 2.30 ± 1.08 D
Volume 507.16 Å 3
Surface Area 386.42 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy 0.57 ± eV
Point Group Symmetry C1
Synonyms
  • 10,10-dimethyl-11-deoxy-6-keto-pge1
  • 10,10-dimethyl-11-deoxy-6-keto-prostaglandin e1
  • 7-[(1r,5r)-5-[(e,3s)-3-hydroxyoct-1-enyl]-2-keto-3,3-dimethyl-cyclopentyl]-6-keto-enanthic acid
  • 7-[(1r,5r)-5-[(e,3s)-3-hydroxyoct-1-enyl]-3,3-dimethyl-2-oxo-cyclopentyl]-6-oxo-heptanoic acid
  • 7-[(1r,5r)-5-[(e,3s)-3-hydroxyoct-1-enyl]-3,3-dimethyl-2-oxocyclopentyl]-6-oxoheptanoic acid
  • np 01a
  • np-01-a
  • prost-13-en-1-oic acid, 15-hydroxy-10,10-dimethyl-6,9-dioxo-, (13e,15s)-
CAS Number(s)
  • 98677-35-1
InChIKey NKPLIRDBVYHOBK-BPMPHTBJSA-N
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