(5Z)-7-{(1R,2R,3R)-3-Hydroxy-2-[(1E,3S)-3-Hydroxy-6,6-Dimethyl-1-Nonen-1-Yl]-5-Oxocyclopentyl}-5-Heptenoic Acid

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Properties Simple | Detailed

Formula C23H38O5
IUPAC Name (z)-7-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxy-6,6-dimethyl-non-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid
Molecular Mass 394.545 g·mol−1
Heat of Formation -1121.2 ± 16.7 kJ·mol−1
Dipole Moment 3.86 ± 1.08 D
Volume 547.09 Å 3
Surface Area 404.23 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy 0.72 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-7-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxy-6,6-dimethyl-non-1-enyl]-5-keto-cyclopentyl]hept-5-enoic acid
  • (z)-7-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxy-6,6-dimethyl-non-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid
  • (z)-7-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxy-6,6-dimethylnon-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
  • 18,18,20-trimethyl-pge2
  • 18,18,20-trimethylprostaglandin e2
  • prosta-5,13-dien-1-oic acid, 11,15-dihydroxy-18,18,20-trimethyl-9-oxo-, (5z,11alpha,13e,15s)-
CAS Number(s)
  • 80003-51-6
InChIKey GWDJFNKNWQVKTQ-OIHXRBQNSA-N
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