(5E,9α,11α,13E,15R)-11,15-Dihydroxy-6,9-Epoxyprosta-5,13-Dien-1-Oic Acid

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Formula C20H32O5
IUPAC Name (5e)-5-[(3ar,4r,5r,6as)-5-hydroxy-4-[(e,3r)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid
Molecular Mass 352.465 g·mol−1
Heat of Formation -1048.5 ± 16.7 kJ·mol−1
Dipole Moment 4.94 ± 1.08 D
Volume 463.15 Å 3
Surface Area 409.48 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 0.77 ± eV
Point Group Symmetry C1
Synonyms
  • (5e)-5-[(3ar,4r,5r,6as)-5-hydroxy-4-[(e,3r)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[d]furan-2-ylidene]pentanoic acid
  • (5e)-5-[(3ar,4r,5r,6as)-5-hydroxy-4-[(e,3r)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[d]furan-2-ylidene]valeric acid
  • try 200
  • try-200
CAS Number(s)
  • 136626-78-3
InChIKey KAQKFAOMNZTLHT-QEJAIVOXSA-N
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