Methyl (4E)-7-{(1R,2R,3R)-2-[(1E,4R,5E)-6-(1-Cyclopenten-1-Yl)-4-Hydroxy-4-Methyl-1,5-Hexadien-1-Yl]-3-Hydroxy-5-Oxocyclopentyl}-4-Heptenoate

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Properties Simple | Detailed

Formula C25H36O5
IUPAC Name methyl (e)-7-[(1r,2r,3r)-2-[(1e,4r,5e)-6-(cyclopenten-1-yl)-4-hydroxy-4-methyl-hexa-1,5-dienyl]-3-hydroxy-5-oxo-cyclopentyl]hept-4-enoate
Molecular Mass 416.550 g·mol−1
Heat of Formation -912.2 ± 16.7 kJ·mol−1
Dipole Moment 4.72 ± 1.08 D
Volume 551.08 Å 3
Surface Area 412.83 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-7-[(1r,2r,3r)-2-[(1e,4r,5e)-6-(1-cyclopentenyl)-4-hydroxy-4-methyl-hexa-1,5-dienyl]-3-hydroxy-5-keto-cyclopentyl]hept-4-enoic acid methyl ester
  • (e)-7-[(1r,2r,3r)-2-[(1e,4r,5e)-6-(1-cyclopentenyl)-4-hydroxy-4-methylhexa-1,5-dienyl]-3-hydroxy-5-oxocyclopentyl]hept-4-enoic acid methyl ester
  • 4-heptenoic acid, 7-(2-(6-(1-cyclopenten-1-yl)-4-hydroxy-4-methyl-1,5-hexadienyl)-3-hydroxy-5-oxocyclopentyl)-, methyl ester, (1r-(1alpha(z),2beta(1e,4r*,5e),3alpha))-
  • methyl (e)-7-[(1r,2r,3r)-2-[(1e,4r,5e)-6-(1-cyclopentenyl)-4-hydroxy-4-methyl-hexa-1,5-dienyl]-3-hydroxy-5-oxo-cyclopentyl]hept-4-enoate
  • methyl (e)-7-[(1r,2r,3r)-2-[(1e,4r,5e)-6-(1-cyclopentenyl)-4-hydroxy-4-methylhexa-1,5-dienyl]-3-hydroxy-5-oxocyclopentyl]hept-4-enoate
  • methyl 7-(2beta-(6-(1-cyclo-pentyl-yl)-4r-hydroxy-4-methyl-1e,5e-hexadienyl)-3alpha-hydroxy-5-oxo-1r,1alpha-cyclopentyl)-4z-heptenoate
  • pdsp2_000077
  • sc-46275
CAS Number(s)
  • 137255-19-7
InChIKey ZZVPHCPLTZTOBC-GEQFKEHBSA-N
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