(13E)-9,15-Dioxoprosta-8(12),13-Dien-1-Oic Acid

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Properties Simple | Detailed

Formula C20H30O4
IUPAC Name 7-[5-oxo-2-[(e)-3-oxooct-1-enyl]cyclopenten-1-yl]heptanoic acid
Molecular Mass 334.450 g·mol−1
Heat of Formation -832.3 ± 16.7 kJ·mol−1
Dipole Moment 5.67 ± 1.08 D
Volume 447.0 Å 3
Surface Area 420.78 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
Synonyms
  • 15-keto-pgb1
  • 15-ketoprostaglandin b1
  • 15-oxoprostaglandin b1
  • 7-[5-keto-2-[(e)-3-ketooct-1-enyl]-1-cyclopentenyl]enanthic acid
  • 7-[5-oxo-2-[(e)-3-oxooct-1-enyl]-1-cyclopentenyl]heptanoic acid
  • prosta-8(12),13-dien-1-oic acid, 9,15-dioxo-, (13e)-
CAS Number(s)
  • 57400-40-5
InChIKey NCXBAFRWWQVEJY-WYMLVPIESA-N
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