(5Z,9α,11α,13E,15S,17Z)-11,15-Dihydroxy-6,9-Epoxyprosta-5,13,17-Trien-1-Oic Acid

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Properties Simple | Detailed

Formula C20H30O5
IUPAC Name (5z)-5-[(3ar,4r,5r,6as)-5-hydroxy-4-[(1e,3s,5z)-3-hydroxyocta-1,5-dienyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid
Molecular Mass 350.449 g·mol−1
Heat of Formation -994.5 ± 16.7 kJ·mol−1
Dipole Moment 2.35 ± 1.08 D
Volume 445.11 Å 3
Surface Area 359.28 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy 3.61 ± eV
Point Group Symmetry C1
Synonyms
  • (5z)-5-[(3ar,4r,5r,6as)-5-hydroxy-4-[(1e,3s,5z)-3-hydroxyocta-1,5-dienyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[d]furan-2-ylidene]pentanoic acid
  • (5z)-5-[(3ar,4r,5r,6as)-5-hydroxy-4-[(1e,3s,5z)-3-hydroxyocta-1,5-dienyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[d]furan-2-ylidene]valeric acid
  • 6,9s-epoxy-11r,15s-dihydroxy-15z,13e,17z-prostatrienoic acid
  • lmfa03010045
  • pgi3
  • prosta-5,13,17-trien-1-oic acid, 6,9-epoxy-11,15-dihydroxy-, (5z,9alpha,11alpha,13e,15s,17z)-
  • prostaglandin i3
CAS Number(s)
  • 68794-57-0
InChIKey NCYSTSFUYSFMEO-OBLTVXDOSA-N
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