Methyl (11α,13E,15S)-11,15-Dihydroxy-15-Methyl-7,9-Dioxoprost-13-En-1-Oate

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Properties Simple | Detailed

Formula C22H36O6
IUPAC Name methyl 7-[(1s,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxy-3-methyl-oct-1-enyl]-5-oxo-cyclopentyl]-7-oxo-heptanoate
Molecular Mass 396.518 g·mol−1
Heat of Formation -1284.0 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 528.92 Å 3
Surface Area 445.99 Å 2
HOMO Energy -10.23 ± 0.55 eV
LUMO Energy 0.34 ± eV
Point Group Symmetry C1
Synonyms
  • 7-[(1s,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxy-3-methyl-oct-1-enyl]-5-keto-cyclopentyl]-7-keto-enanthic acid methyl ester
  • 7-[(1s,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxy-3-methyloct-1-enyl]-5-oxocyclopentyl]-7-oxoheptanoic acid methyl ester
  • 7-oxo-15-methylprostaglandin e1 methyl ester
  • methyl 7-[(1s,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxy-3-methyl-oct-1-enyl]-5-oxo-cyclopentyl]-7-oxo-heptanoate
  • methyl 7-[(1s,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxy-3-methyloct-1-enyl]-5-oxocyclopentyl]-7-oxoheptanoate
  • prost-13-en-1-oic acid, 11,15-dihydroxy-15-methyl-7,9-dioxo-, methyl ester, (11alpha,13e,15s)-
  • tei 1226
CAS Number(s)
  • 68538-80-7
InChIKey LIYHLZUWUHRRRD-JONZWKOESA-N
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