Methyl 5-{(4R,5R)-5-Hydroxy-4-[(1E,3S)-3-Hydroxy-1-Octen-1-Yl]-1-Phenyl-1,4,5,6-Tetrahydrocyclopenta[B]Pyrrol-2-Yl}Pentanoate

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Properties Simple | Detailed

Formula C27H37NO4
IUPAC Name methyl 5-[(4r,5r)-5-hydroxy-4-[(e,3s)-3-hydroxyoct-1-enyl]-1-phenyl-5,6-dihydro-4h-cyclopenta[b]pyrrol-1-ium-6a-ylium-2-yl]pentanoate
Molecular Mass 439.587 g·mol−1
Heat of Formation -672.1 ± 16.7 kJ·mol−1
Dipole Moment 6.12 ± 1.08 D
Volume 581.12 Å 3
Surface Area 446.05 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[(4r,5r)-5-hydroxy-4-[(e,3s)-3-hydroxyoct-1-enyl]-1-phenyl-5,6-dihydro-4h-cyclopenta[d]pyrrol-2-yl]pentanoic acid methyl ester
  • 5-[(4r,5r)-5-hydroxy-4-[(e,3s)-3-hydroxyoct-1-enyl]-1-phenyl-5,6-dihydro-4h-cyclopenta[d]pyrrol-2-yl]valeric acid methyl ester
  • 6,9-deepoxy-6,9-(phenylimino)-delta(6,8)pgi1 methyl ester
  • 6,9-deepoxy-6,9-(phenylimino)-delta(6,8)prostaglandin i1 methyl ester
  • cyclopenta(b)pyrrole-2-pentanoic acid, 1,4,5,6-tetrahydro-5-hydroxy-4-(3-hydroxy-1-octenyl)-1-phenyl-, methyl ester, (4r-(4alpha(1e,3s*),5beta))-
  • methyl 5-[(4r,5r)-5-hydroxy-4-[(e,3s)-3-hydroxyoct-1-enyl]-1-phenyl-5,6-dihydro-4h-cyclopenta[d]pyrrol-2-yl]pentanoate
  • u 56,467
  • u 56467
  • u-56,467
  • u-56467
CAS Number(s)
  • 79672-87-0
InChIKey SBNSVUGHMLFGSQ-YZTJXFHOSA-N
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