(5Z)-7-{(1R,2R,3R)-3-Hydroxy-2-[(1E,3S)-3-Hydroxy-9-Methyl-1,8-Decadien-1-Yl]-5-Oxocyclopentyl}-5-Heptenoic Acid

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Properties Simple | Detailed

Formula C23H36O5
IUPAC Name (z)-7-[(1r,2r,3r)-3-hydroxy-2-[(1e,3s)-3-hydroxy-9-methyl-deca-1,8-dienyl]-5-oxo-cyclopentyl]hept-5-enoic acid
Molecular Mass 392.529 g·mol−1
Heat of Formation -1065.0 ± 16.7 kJ·mol−1
Dipole Moment 2.92 ± 1.08 D
Volume 516.87 Å 3
Surface Area 386.94 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy 0.76 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-7-[(1r,2r,3r)-3-hydroxy-2-[(1e,3s)-3-hydroxy-9-methyl-deca-1,8-dienyl]-5-keto-cyclopentyl]hept-5-enoic acid
  • (z)-7-[(1r,2r,3r)-3-hydroxy-2-[(1e,3s)-3-hydroxy-9-methyl-deca-1,8-dienyl]-5-oxo-cyclopentyl]hept-5-enoic acid
  • (z)-7-[(1r,2r,3r)-3-hydroxy-2-[(1e,3s)-3-hydroxy-9-methyldeca-1,8-dienyl]-5-oxocyclopentyl]hept-5-enoic acid
  • 5-heptenoic acid, 7-(3-hydroxy-2-(3-hydroxy-9-methyl-1,8-decadienyl)-5-oxocyclopentyl)-, (1r-(1-alpha(z),2-beta(1e,3s*),3-alpha))-
  • cs 412
  • cs-412
CAS Number(s)
  • 59982-03-5
InChIKey STPUFZJFXIWGCZ-SIIFEQSASA-N
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