Isopropyl (5Z)-7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E)-3-Oxo-5-Phenyl-1-Penten-1-Yl]Cyclopentyl}-5-Heptenoate

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Properties Simple | Detailed

Formula C26H36O5
IUPAC Name isopropyl (z)-7-[(1r,2r,3r,5s)-3,5-dihydroxy-2-[(e)-3-oxo-5-phenyl-pent-1-enyl]cyclopentyl]hept-5-enoate
Molecular Mass 428.561 g·mol−1
Heat of Formation -977.3 ± 16.7 kJ·mol−1
Dipole Moment 2.48 ± 1.08 D
Volume 546.3 Å 3
Surface Area 381.32 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (1r-(1alpha(z),2beta(e),3alpha,5alpha))-1-methylethyl 7-(3,5-dihydroxy-2-(3-oxo-5-phenyl-1-pentenyl)cyclopentyl)-5-heptenoate
  • (z)-7-[(1r,2r,3r,5s)-3,5-dihydroxy-2-[(e)-3-keto-5-phenyl-pent-1-enyl]cyclopentyl]hept-5-enoic acid isopropyl ester
  • (z)-7-[(1r,2r,3r,5s)-3,5-dihydroxy-2-[(e)-3-oxo-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoic acid isopropyl ester
  • 1-methylethyl 7-(3,5-dihydroxy-2-(3-oxo-5-phenyl-1-pentenyl)cyclopentyl)-5-heptenoate (1r-(1alpha(z),2beta(e),3alpha,5alpha))-
  • 15-keto-17-phenyl-18,19,20-trinor-pgf2alpha-1-isopropyl ester
  • 15-keto-17-phenyl-18,19,20-trinorprostaglandin f2alpha-1-isopropyl ester
  • 5-heptenoic acid, 7-(3,5-dihydroxy-2-(3-oxo-5-phenyl-1-pentenyl)cyclopentyl)-, 1-methylethyl ester, (1r-(1alpha(z),2beta(e),3alpha,5alpha))-
  • isopropyl (z)-7-[(1r,2r,3r,5s)-3,5-dihydroxy-2-[(e)-3-oxo-5-phenyl-pent-1-enyl]cyclopentyl]hept-5-enoate
  • phxa12
  • propan-2-yl (z)-7-[(1r,2r,3r,5s)-3,5-dihydroxy-2-[(e)-3-oxo-5-phenyl-pent-1-enyl]cyclopentyl]hept-5-enoate
  • propan-2-yl (z)-7-[(1r,2r,3r,5s)-3,5-dihydroxy-2-[(e)-3-oxo-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate
CAS Number(s)
  • 130209-77-7
InChIKey GKTGBSHVNAVDCL-VCAADEISSA-N
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