Methyl (4Z)-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 (z)-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 -912.7 ± 16.7 kJ·mol−1
Dipole Moment 5.23 ± 1.08 D
Volume 551.77 Å 3
Surface Area 405.44 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 3.27 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-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
  • (z)-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
  • methyl (z)-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 (z)-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
  • sc46275
InChIKey ZZVPHCPLTZTOBC-ZNJGPPGCSA-N
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