(5Z,11α,13E,15R)-15-Acetoxy-11,16,16-Trimethyl-9-Oxoprosta-5,13-Dien-1-Oic Acid

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Properties Simple | Detailed

Formula C25H40O5
IUPAC Name (z)-7-[(1r,2r,3r)-2-[(e,3r)-3-acetoxy-4,4-dimethyl-oct-1-enyl]-3-methyl-5-oxo-cyclopentyl]hept-5-enoic acid
Molecular Mass 420.582 g·mol−1
Heat of Formation -1166.3 ± 16.7 kJ·mol−1
Dipole Moment 3.77 ± 1.08 D
Volume 564.38 Å 3
Surface Area 425.29 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy 0.84 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-7-[(1r,2r,3r)-2-[(e,3r)-3-acetoxy-4,4-dimethyl-oct-1-enyl]-3-methyl-5-oxo-cyclopentyl]hept-5-enoic acid
  • (z)-7-[(1r,2r,3r)-2-[(e,3r)-3-acetoxy-4,4-dimethyl-oct-1-enyl]-5-keto-3-methyl-cyclopentyl]hept-5-enoic acid
  • (z)-7-[(1r,2r,3r)-2-[(e,3r)-3-acetoxy-4,4-dimethyloct-1-enyl]-3-methyl-5-oxocyclopentyl]hept-5-enoic acid
  • (z)-7-[(1r,2r,3r)-2-[(e,3r)-3-acetyloxy-4,4-dimethyl-oct-1-enyl]-3-methyl-5-oxo-cyclopentyl]hept-5-enoic acid
  • (z)-7-[(1r,2r,3r)-2-[(e,3r)-3-acetyloxy-4,4-dimethyloct-1-enyl]-3-methyl-5-oxocyclopentyl]hept-5-enoic acid
  • 15-acetyloxy-11,16,16-trimethyl-9-oxoprosta-5,13-dien-1-oic acid
  • 15-acetyltrimoprostil
  • prosta-5,13-dien-1-oic acid, 15-(acetyloxy)-11,16,16-trimethyl-9-oxo-, (5z,11alpha,13e,15r)-
  • ro 22-6923
  • ro-22-6923
  • ro-226923
CAS Number(s)
  • 81397-66-2
InChIKey QJTQYLVQNAWNEB-RGVWXMIZSA-N
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