Methyl (5E,11α,13E,15S)-11,15-Dihydroxy-9-Oxoprosta-5,13-Dien-1-Oate

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Properties Simple | Detailed

Formula C21H34O5
IUPAC Name methyl (e)-7-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoate
Molecular Mass 366.492 g·mol−1
Heat of Formation -1050.1 ± 16.7 kJ·mol−1
Dipole Moment 1.70 ± 1.08 D
Volume 498.99 Å 3
Surface Area 381.25 Å 2
HOMO Energy -9.95 ± 0.55 eV
LUMO Energy 0.29 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-7-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-keto-cyclopentyl]hept-5-enoic acid methyl ester
  • (e)-7-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid methyl ester
  • 5-heptenoic acid, 7-(3-hydroxy-2-(3-hydroxy-1-octenyl)-5-oxocyclopentyl)-, methy
  • 5-heptenoic acid, 7-(3-hydroxy-2-(3-hydroxy-1-octenyl)-5-oxocyclopentyl)-, methyl ester, stereoisomer
  • methyl (e)-7-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoate
  • methyl (e)-7-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoate
  • pge2 methyl ester
  • prostaglandin e2 methyl ester
CAS Number(s)
  • 31753-17-0
InChIKey WGCXTGBZBFBQPP-APRSVDTJSA-N
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