Methyl (3E,5Z,11α,13E,16R)-11,16-Dihydroxy-16-Methyl-9-Oxoprosta-3,5,13-Trien-1-Oate

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Properties Simple | Detailed

Formula C22H34O5
IUPAC Name methyl (3e,5z)-7-[(1r,2r,3r)-3-hydroxy-2-[(e,4r)-4-hydroxy-4-methyl-oct-1-enyl]-5-oxo-cyclopentyl]hepta-3,5-dienoate
Molecular Mass 378.502 g·mol−1
Heat of Formation -981.8 ± 16.7 kJ·mol−1
Dipole Moment 5.00 ± 1.08 D
Volume 501.73 Å 3
Surface Area 397.39 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -0.08 ± eV
Point Group Symmetry C1
Synonyms
  • (3e,5z)-7-[(1r,2r,3r)-3-hydroxy-2-[(e,4r)-4-hydroxy-4-methyl-oct-1-enyl]-5-keto-cyclopentyl]hepta-3,5-dienoic acid methyl ester
  • (3e,5z)-7-[(1r,2r,3r)-3-hydroxy-2-[(e,4r)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]hepta-3,5-dienoic acid methyl ester
  • 15-deoxy-16-methyl-16-hydroxy-3,4-didehydroprostaglandin e2 methyl ester
  • 15-dmhdpe2
  • methyl (3e,5z)-7-[(1r,2r,3r)-3-hydroxy-2-[(e,4r)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]hepta-3,5-dienoate
  • methyl 11,16-dihydroxy-16-methyl-9-oxoprosta-3,5,13-trien-1-oate (3e,5z,11alpha,13e,16r)-(+-)-
  • prosta-3,5,13-trien-1-oic acid, 11,16-dihydroxy-16-methyl-9-oxo-, methyl ester, (3e,5z,11alpha,13e,16r)-(+-)-
CAS Number(s)
  • 81834-84-6
InChIKey CGJJJNSWKBYWIU-UXWGUYDPSA-N
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