4-Hydroxyphenyl (13E,15S)-15-Hydroxy-9-Oxoprost-13-En-1-Oate

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Properties Simple | Detailed

Formula C26H38O5
IUPAC Name (4-hydroxyphenyl) 7-[(1r,2r)-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]heptanoate
Molecular Mass 430.577 g·mol−1
Heat of Formation -1061.3 ± 16.7 kJ·mol−1
Dipole Moment 4.13 ± 1.08 D
Volume 562.18 Å 3
Surface Area 395.9 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (4-hydroxyphenyl) 7-[(1r,2r)-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]heptanoate
  • (4-hydroxyphenyl) 7-[(1r,2r)-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoate
  • 11-deoxyprostaglandin e1 4-hydroxyphenyl ester
  • 11-dp-e1-hp
  • 4-hydroxyphenyl 11-deoxyprostaglandin e1 ester
  • 7-[(1r,2r)-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-keto-cyclopentyl]enanthic acid (4-hydroxyphenyl) ester
  • 7-[(1r,2r)-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid (4-hydroxyphenyl) ester
CAS Number(s)
  • 114495-95-3
InChIKey CABYOFUKVRIDJY-VJHXMIFPSA-N
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