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

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Properties Simple | Detailed

Formula C23H28O5
IUPAC Name methyl 7-[(1r,2r)-2-[(e,3r)-3-hydroxy-4-phenoxy-but-1-enyl]-5-oxo-cyclopentyl]hepta-4,5-dienoate
Molecular Mass 384.465 g·mol−1
Heat of Formation -653.3 ± 16.7 kJ·mol−1
Dipole Moment 5.59 ± 1.08 D
Volume 486.51 Å 3
Surface Area 453.17 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 3.09 ± eV
Point Group Symmetry C1
Synonyms
  • 4,5-heptadienoic acid, 7-(2-(3-hydroxy-4-phenoxy-1-butenyl)-5-oxocyclopentyl)-, methyl ester, (1r-(1alpha(r*),2beta(1e,3r*)))-
  • 7-[(1r,2r)-2-[(e,3r)-3-hydroxy-4-(phenoxy)but-1-enyl]-5-keto-cyclopentyl]hepta-4,5-dienoic acid methyl ester
  • 7-[(1r,2r)-2-[(e,3r)-3-hydroxy-4-(phenoxy)but-1-enyl]-5-oxocyclopentyl]hepta-4,5-dienoic acid methyl ester
  • methyl 7-[(1r,2r)-2-[(e,3r)-3-hydroxy-4-(phenoxy)but-1-enyl]-5-oxo-cyclopentyl]hepta-4,5-dienoate
  • methyl 7-[(1r,2r)-2-[(e,3r)-3-hydroxy-4-(phenoxy)but-1-enyl]-5-oxocyclopentyl]hepta-4,5-dienoate
  • methyl-9-oxo 15-hydroxy-16-phenoxy-17,18,19,20-tetranorprosta-4,5,13-trienoate
  • rs 61756-007
  • rs-61756-007
CAS Number(s)
  • 121571-14-0
InChIKey YLIAAYCEDYLESX-KNKVBBEHSA-N
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