(13E,15S)-15-Hydroxy-9-Oxoprosta-8(12),13-Dien-1-Oic Acid

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Properties Simple | Detailed

Formula C20H32O4
IUPAC Name 7-[2-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxo-cyclopenten-1-yl]heptanoic acid
Molecular Mass 336.466 g·mol−1
Heat of Formation -893.2 ± 16.7 kJ·mol−1
Dipole Moment 4.52 ± 1.08 D
Volume 458.97 Å 3
Surface Area 425.79 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • 7-[2-[(3s)-3-hydroxyoct-1-enyl]-5-keto-1-cyclopentenyl]enanthic acid
  • 7-[2-[(3s)-3-hydroxyoct-1-enyl]-5-oxo-1-cyclopentenyl]heptanoic acid
  • 7-[2-[(e,3s)-3-hydroxyoct-1-enyl]-5-keto-1-cyclopentenyl]enanthic acid
  • 7-[2-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxo-1-cyclopentenyl]heptanoic acid
  • 9-oxo-15s-hydroxy-8(12),13e-prostadienoic acid
  • bio1_000223
  • bio1_000712
  • bio1_001201
  • bio2_000202
  • bio2_000682
  • cbiol_001937
  • lmfa03010131
  • pgb1
  • prosta-8(12),13-dien-1-oic acid, 15-hydroxy-9-oxo-, (13e,15s)-
  • prostaglandin b1
  • prostaglandin- b1
CAS Number(s)
  • 13345-42-1
  • 16363-22-7
  • 13345-51-2
  • 28548-74-5
  • 1811-73-0
InChIKey YBHMPNRDOVPQIN-VSOYFRJCSA-N
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