(7E)-7-{(3Ar,4R,5R,6As)-5-Hydroxy-4-[(1E,3S)-3-Hydroxy-1-Octen-1-Yl]Hexahydro-2H-Cyclopenta[B]Furan-2-Ylidene}Heptanoic Acid

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Properties Simple | Detailed

Formula C22H36O5
IUPAC Name (7e)-7-[(3ar,4r,5r,6as)-5-hydroxy-4-[(e,3s)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]heptanoic acid
Molecular Mass 380.518 g·mol−1
Heat of Formation -1136.5 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 493.74 Å 3
Surface Area 355.85 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 0.64 ± eV
Point Group Symmetry C1
Synonyms
  • (7e)-7-[(3ar,4r,5r,6as)-5-hydroxy-4-[(e,3s)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[d]furan-2-ylidene]enanthic acid
  • (7e)-7-[(3ar,4r,5r,6as)-5-hydroxy-4-[(e,3s)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[d]furan-2-ylidene]heptanoic acid
  • dihomo-pgi(2)
  • dihomo-prostaglandin i(2)
CAS Number(s)
  • 99286-22-3
InChIKey ITVMMMCBRSJVKT-LAALATIFSA-N
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