Methyl (5Z,13E,15R)-15-Hydroxy-16,16-Dimethyl-9-Oxoprosta-5,10,13-Trien-1-Oate

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Properties Simple | Detailed

Formula C23H36O4
IUPAC Name methyl (z)-7-[(1r,2s)-2-[(e,3r)-3-hydroxy-4,4-dimethyl-oct-1-enyl]-5-oxo-cyclopent-3-en-1-yl]hept-5-enoate
Molecular Mass 376.530 g·mol−1
Heat of Formation -801.2 ± 16.7 kJ·mol−1
Dipole Moment 3.74 ± 1.08 D
Volume 512.35 Å 3
Surface Area 371.75 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-7-[(1r,2s)-2-[(e,3r)-3-hydroxy-4,4-dimethyl-oct-1-enyl]-5-keto-1-cyclopent-3-enyl]hept-5-enoic acid methyl ester
  • (z)-7-[(1r,2s)-2-[(e,3r)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxo-1-cyclopent-3-enyl]hept-5-enoic acid methyl ester
  • 16,16-dimethyl-pga2 methyl ester
  • 16,16-dimethylprostaglandin a2 methyl ester
  • 16,16-dm-pga2-me
  • methyl (z)-7-[(1r,2s)-2-[(e,3r)-3-hydroxy-4,4-dimethyl-oct-1-enyl]-5-oxo-1-cyclopent-3-enyl]hept-5-enoate
  • methyl (z)-7-[(1r,2s)-2-[(e,3r)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxo-1-cyclopent-3-enyl]hept-5-enoate
  • prosta-5,10,13-trien-1-oicacid, 15-hydroxy-16,16-dimethyl-9-oxo-, methyl ester, (5z,13e,15r)-
CAS Number(s)
  • 61956-81-8
InChIKey KQCVXJWHXUJYAE-NONPEJBBSA-N
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