Methyl (7E,13E,15S)-15-Hydroxy-9-Oxoprosta-7,10,13-Trien-1-Oate

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Properties Simple | Detailed

Formula C21H32O4
IUPAC Name methyl (7e)-7-[(2s)-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxo-cyclopent-3-en-1-ylidene]heptanoate
Molecular Mass 348.476 g·mol−1
Heat of Formation -748.7 ± 16.7 kJ·mol−1
Dipole Moment 3.69 ± 1.08 D
Volume 473.76 Å 3
Surface Area 385.43 Å 2
HOMO Energy -10.05 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
Synonyms
  • (7e)-7-[(2s)-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-keto-1-cyclopent-3-enylidene]enanthic acid methyl ester
  • (7e)-7-[(2s)-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxo-1-cyclopent-3-enylidene]heptanoic acid methyl ester
  • 9-oxo-15-hydroxy-delta 7,10,13-prostatrienoic acid methyl ester
  • delta 7-pga1
  • delta(7)-pga(1) methyl ester
  • methyl (7e)-7-[(2s)-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxo-1-cyclopent-3-enylidene]heptanoate
  • prosta-7,10,13-trien-1-oic acid, 15-hydroxy-9-oxo-, methyl ester, (7e,13e,15s)-
CAS Number(s)
  • 92711-55-2
InChIKey IXHOCKABYZKXPB-KSEGEHKCSA-N
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