(11α,13E,15S)-1,11,15-Trihydroxyprost-13-En-9-One

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Properties Simple | Detailed

Formula C20H36O4
IUPAC Name (2r,3r,4r)-4-hydroxy-2-(7-hydroxyheptyl)-3-[(e,3s)-3-hydroxyoct-1-enyl]cyclopentanone
Molecular Mass 340.497 g·mol−1
Heat of Formation -968.8 ± 16.7 kJ·mol−1
Dipole Moment 2.17 ± 1.08 D
Volume 477.95 Å 3
Surface Area 390.4 Å 2
HOMO Energy -10.06 ± 0.55 eV
LUMO Energy 0.46 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r)-4-hydroxy-2-(7-hydroxyheptyl)-3-[(e,3s)-3-hydroxyoct-1-enyl]-1-cyclopentanone
  • (2r,3r,4r)-4-hydroxy-2-(7-hydroxyheptyl)-3-[(e,3s)-3-hydroxyoct-1-enyl]cyclopentan-1-one
  • 1,11r,15s-trihydroxy-13e-prosten-9-one
  • 1-decarboxy-1-hydroxymethyl-pge1
  • 1-decarboxy-1-hydroxymethylprostaglandin e1
  • 2-decarboxy-2-hydroxymethylprostaglandin e1
  • pge-1 1-alcohol
  • pge1 alcohol
  • pge1-carbinol
  • prost-13-en-9-one, 1,11,15-trihydroxy-, (9alpha,13e,15s)-
  • tr-4161
CAS Number(s)
  • 21562-57-2
InChIKey CMHCOGHTKXUQKW-KOAZGICHSA-N
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