(5Z,9α,11α,13E)-11-Hydroxy-15-Oxo-6,9-Epoxyprosta-5,13-Dien-1-Oic Acid

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Formula C20H30O5
IUPAC Name (5z)-5-[(3ar,4r,5r,6as)-5-hydroxy-4-[(e)-3-oxooct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid
Molecular Mass 350.449 g·mol−1
Heat of Formation -1042.4 ± 16.7 kJ·mol−1
Dipole Moment 3.39 ± 1.08 D
Volume 438.83 Å 3
Surface Area 376.19 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (5z)-5-[(3ar,4r,5r,6as)-5-hydroxy-4-[(e)-3-ketooct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[d]furan-2-ylidene]valeric acid
  • (5z)-5-[(3ar,4r,5r,6as)-5-hydroxy-4-[(e)-3-oxooct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[d]furan-2-ylidene]pentanoic acid
  • (5z,13e)-6,9alpha-epoxy-11alpha-hydroxy-15-oxoprosta-5,13-dienoate
  • (5z,13e)-6,9alpha-epoxy-11alpha-hydroxy-15-oxoprosta-5,13-dienoic acid
  • 15-dehydro-prostaglandin i2
  • 15-deoxy-15-oxo-prostaglandin i2
  • 15-keto pgi2
  • 15-keto-pgi2
  • 15-ketoprostaglandin i2
CAS Number(s)
  • 100311-07-7
InChIKey YCLHGWBUIYKBPM-ABXKVQRYSA-N
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