Methyl (5E,9α,11α,13E,15S)-11,15-Dihydroxy-6,9-Epoxyprosta-5,13-Dien-1-Oate

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Properties Simple | Detailed

Formula C21H34O5
IUPAC Name methyl (5e)-5-[(3ar,4r,5r,6as)-5-hydroxy-4-[(e,3s)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoate
Molecular Mass 366.492 g·mol−1
Heat of Formation -1058.3 ± 16.7 kJ·mol−1
Dipole Moment 4.78 ± 1.08 D
Volume 485.12 Å 3
Surface Area 362.63 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 0.79 ± eV
Point Group Symmetry C1
Synonyms
  • (5e)-5-[(3ar,4r,5r,6as)-5-hydroxy-4-[(e,3s)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[d]furan-2-ylidene]pentanoic acid methyl ester
  • (5e)-5-[(3ar,4r,5r,6as)-5-hydroxy-4-[(e,3s)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[d]furan-2-ylidene]valeric acid methyl ester
  • methyl (5e)-5-[(3ar,4r,5r,6as)-5-hydroxy-4-[(e,3s)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[d]furan-2-ylidene]pentanoate
  • pgi2 methyl ester
  • prosta-5,13-dien-1-oic acid, 6,9-epoxy-11,15-dihydroxy-, methyl ester, (5z,9alpha,11alpha,13e,15s)-
  • prostaglandin i2 methyl ester
CAS Number(s)
  • 61799-74-4
InChIKey HEPKWABQTOCTFQ-CXTOUWENSA-N
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