3-[(Z)-{(3Ar,4R,5R,6As)-5-Hydroxy-4-[(1E,3S)-3-Hydroxy-1-Octen-1-Yl]Hexahydro-2H-Cyclopenta[B]Furan-2-Ylidene}Methyl]Benzoic Acid

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Properties Simple | Detailed

Formula C23H30O5
IUPAC Name 3-[(z)-[(3ar,4r,5r,6as)-5-hydroxy-4-[(e,3s)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]methyl]benzoic acid
Molecular Mass 386.481 g·mol−1
Heat of Formation -903.6 ± 16.7 kJ·mol−1
Dipole Moment 3.65 ± 1.08 D
Volume 488.39 Å 3
Surface Area 430.3 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • 2,3,4-trinor-1,5-inter-m-phenylene-6,9-epoxy-11,15-dihydroxylprosta-5,13-dienoate
  • 3-[(z)-[(3ar,4r,5r,6as)-5-hydroxy-4-[(e,3s)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[d]furan-2-ylidene]methyl]benzoic acid
  • cg 4303
  • cg-4303
CAS Number(s)
  • 109010-68-6
InChIKey NKUVQKYRQVSLGY-GITAJKPWSA-N
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