Methyl (5E,7E,14Z)-12-Acetoxy-9-Oxoprosta-5,7,10,14-Tetraen-1-Oate

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Properties Simple | Detailed

Formula C23H32O5
IUPAC Name methyl (e,7e)-7-[(2r)-2-acetoxy-2-[(z)-oct-2-enyl]-5-oxo-cyclopent-3-en-1-ylidene]hept-5-enoate
Molecular Mass 388.497 g·mol−1
Heat of Formation -847.7 ± 16.7 kJ·mol−1
Dipole Moment 5.48 ± 1.08 D
Volume 507.69 Å 3
Surface Area 408.58 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • (e,7e)-7-[(2r)-2-acetoxy-2-[(z)-oct-2-enyl]-5-oxo-1-cyclopent-3-enylidene]hept-5-enoic acid methyl ester
  • (e,7e)-7-[(2r)-2-acetoxy-5-keto-2-[(z)-oct-2-enyl]-1-cyclopent-3-enylidene]hept-5-enoic acid methyl ester
  • 7-(2-acetoxy-2-oct-2-enyl-5-oxo-cyclopent-3-enylidene)-hept-5-enoic acid methyl ester
  • claviridenone e
  • methyl (5e,7e,14z)-12-(acetyloxy)-9-oxoprosta-5,7,10,14-tetraen-1-oate
  • methyl (e,7e)-7-[(2r)-2-acetoxy-2-[(z)-oct-2-enyl]-5-oxo-1-cyclopent-3-enylidene]hept-5-enoate
  • methyl (e,7e)-7-[(2r)-2-acetyloxy-2-[(z)-oct-2-enyl]-5-oxo-1-cyclopent-3-enylidene]hept-5-enoate
  • prosta-5,7,10,14-tetraen-1-oic acid, 12-(acetyloxy)-9-oxo-, methyl ester, (5e,7e,14z)-
InChIKey NPTOZTAHJVTRAS-LTUDYUARSA-N
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