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

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Properties Simple | Detailed

Formula C24H30O5
IUPAC Name methyl 7-[(1r,2r,3r)-2-[(e,3r)-3-hydroxy-4-phenoxy-but-1-enyl]-3-methyl-5-oxo-cyclopentyl]hepta-4,5-dienoate
Molecular Mass 398.492 g·mol−1
Heat of Formation -692.5 ± 16.7 kJ·mol−1
Dipole Moment 5.55 ± 1.08 D
Volume 526.44 Å 3
Surface Area 446.98 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.00 ± eV
Point Group Symmetry C1
Synonyms
  • 4,5-heptadienoic acid, 7-(2-(3-hydroxy-4-phenoxy-1-butenyl)-3-methyl-5-oxocyclopentyl)-, methyl ester, (1r-(1alpha(r*),2beta(1e,3r*),3alpha))-
  • 7-[(1r,2r,3r)-2-[(e,3r)-3-hydroxy-4-(phenoxy)but-1-enyl]-3-methyl-5-oxocyclopentyl]hepta-4,5-dienoic acid methyl ester
  • 7-[(1r,2r,3r)-2-[(e,3r)-3-hydroxy-4-(phenoxy)but-1-enyl]-5-keto-3-methyl-cyclopentyl]hepta-4,5-dienoic acid methyl ester
  • methyl 7-[(1r,2r,3r)-2-[(e,3r)-3-hydroxy-4-(phenoxy)but-1-enyl]-3-methyl-5-oxo-cyclopentyl]hepta-4,5-dienoate
  • methyl 7-[(1r,2r,3r)-2-[(e,3r)-3-hydroxy-4-(phenoxy)but-1-enyl]-3-methyl-5-oxocyclopentyl]hepta-4,5-dienoate
  • methyl-7-(3-methyl-2-(3-hydroxy-4-phenoxy-1-butenyl)-5-oxocyclopentyl)-4,5-heptadienoate
  • rs 61565
  • rs-61565
CAS Number(s)
  • 138258-82-9
InChIKey KSJKASBEOKZMNI-TULZEWRFSA-N
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