Methyl (10α,13E,15S)-10,15-Dihydroxy-9-Oxoprost-13-En-1-Oate

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Properties Simple | Detailed

Formula C21H36O5
IUPAC Name methyl 7-[(1r,3s,5r)-3-hydroxy-5-[(e,3s)-3-hydroxyoct-1-enyl]-2-oxo-cyclopentyl]heptanoate
Molecular Mass 368.508 g·mol−1
Heat of Formation -1123.5 ± 16.7 kJ·mol−1
Dipole Moment 3.08 ± 1.08 D
Volume 504.42 Å 3
Surface Area 413.37 Å 2
HOMO Energy -9.94 ± 0.55 eV
LUMO Energy 0.35 ± eV
Point Group Symmetry C1
Synonyms
  • 11-deoxy-10-hydroxyprostaglandin e1 methyl ester
  • 7-[(1r,3s,5r)-3-hydroxy-5-[(e,3s)-3-hydroxyoct-1-enyl]-2-keto-cyclopentyl]enanthic acid methyl ester
  • 7-[(1r,3s,5r)-3-hydroxy-5-[(e,3s)-3-hydroxyoct-1-enyl]-2-oxocyclopentyl]heptanoic acid methyl ester
  • methyl 7-[(1r,3s,5r)-3-hydroxy-5-[(e,3s)-3-hydroxyoct-1-enyl]-2-oxo-cyclopentyl]heptanoate
  • methyl 7-[(1r,3s,5r)-3-hydroxy-5-[(e,3s)-3-hydroxyoct-1-enyl]-2-oxocyclopentyl]heptanoate
  • prost-13-en-1-oic acid, 10,15-dihydroxy-9-oxo-, methyl ester, (10alpha,13e,15s)-(+-)-
CAS Number(s)
  • 64318-57-6
InChIKey KJMHVOVUFMQGEJ-NRVWHEPXSA-N
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