Methyl 7-{(1S,2S,3S)-3-Hydroxy-2-[(1Z,3R)-3-Hydroxy-4-Phenoxy-1-Buten-1-Yl]-5-Oxocyclopentyl}-4,5-Heptadienoate

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Properties Simple | Detailed

Formula C23H28O6
IUPAC Name methyl 7-[(1s,2s,3s)-3-hydroxy-2-[(z,3r)-3-hydroxy-4-phenoxy-but-1-enyl]-5-oxo-cyclopentyl]hepta-4,5-dienoate
Molecular Mass 400.465 g·mol−1
Heat of Formation -846.3 ± 16.7 kJ·mol−1
Dipole Moment 2.98 ± 1.08 D
Volume 506.62 Å 3
Surface Area 408.0 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 3.02 ± eV
Point Group Symmetry C1
Synonyms
  • 4,5-heptadienoic acid, 7-(3-hydroxy-2-(3-hydroxy-4-phenoxy-1-butenyl)-5-oxocyclopentyl)-, methyl ester
  • 7-[(1s,2s,3s)-3-hydroxy-2-[(z,3r)-3-hydroxy-4-(phenoxy)but-1-enyl]-5-keto-cyclopentyl]hepta-4,5-dienoic acid methyl ester
  • 7-[(1s,2s,3s)-3-hydroxy-2-[(z,3r)-3-hydroxy-4-(phenoxy)but-1-enyl]-5-oxocyclopentyl]hepta-4,5-dienoic acid methyl ester
  • enprostil, l-
  • enprostilo [spanish]
  • enprostilum [latin]
  • gardrin
  • methyl 7-((1r*,2r*,3r*)-3-hydroxy-2-((e)-(3r*)-3-hydroxy-4-phenoxy-1-butenyl)-5-oxocyclopentyl)-4,5-heptadienoate
  • methyl 7-[(1s,2s,3s)-3-hydroxy-2-[(z,3r)-3-hydroxy-4-(phenoxy)but-1-enyl]-5-oxo-cyclopentyl]hepta-4,5-dienoate
  • methyl 7-[(1s,2s,3s)-3-hydroxy-2-[(z,3r)-3-hydroxy-4-(phenoxy)but-1-enyl]-5-oxocyclopentyl]hepta-4,5-dienoate
  • rs 84135
  • rs 84135-004
CAS Number(s)
  • 73121-56-9
InChIKey PTOJVMZPWPAXER-IYVQAKMESA-N
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