Methyl (5Z,15S,16S)-15-Hydroxy-16-Methyl-9-Oxoprost-5-En-13-Yn-1-Oate

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Properties Simple | Detailed

Formula C22H34O4
IUPAC Name methyl (z)-7-[(1r,2s)-2-[(3s,4s)-3-hydroxy-4-methyl-oct-1-ynyl]-5-oxo-cyclopentyl]hept-5-enoate
Molecular Mass 362.503 g·mol−1
Heat of Formation -707.3 ± 16.7 kJ·mol−1
Dipole Moment 2.00 ± 1.08 D
Volume 503.81 Å 3
Surface Area 404.89 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy 0.69 ± eV
Point Group Symmetry C1
Synonyms
  • (5z,15s,16s)-15-hydroxy-16-methyl-9-oxoprost-5-en-13-yn-1-oic acid methyl ester
  • (z)-7-[(1r,2s)-2-[(3s,4s)-3-hydroxy-4-methyl-oct-1-ynyl]-5-keto-cyclopentyl]hept-5-enoic acid methyl ester
  • (z)-7-[(1r,2s)-2-[(3s,4s)-3-hydroxy-4-methyloct-1-ynyl]-5-oxocyclopentyl]hept-5-enoic acid methyl ester
  • 11-deoxy-13,14-didehydro-16(s)-methylprostaglandin e2 methyl ester
  • fce 20700
  • fce-20700
  • methyl (z)-7-[(1r,2s)-2-[(3s,4s)-3-hydroxy-4-methyl-oct-1-ynyl]-5-oxo-cyclopentyl]hept-5-enoate
  • methyl (z)-7-[(1r,2s)-2-[(3s,4s)-3-hydroxy-4-methyloct-1-ynyl]-5-oxocyclopentyl]hept-5-enoate
  • prost-5-en-13-yn-1-oic acid, 15-hydroxy-16-methyl-9-oxo-, methyl ester, (5z,15s,16s)-
CAS Number(s)
  • 89648-76-0
InChIKey WPNSDQNZGLPFNT-LKTBELLOSA-N
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