Methyl (2E,11α,13E,15S)-11,15-Dihydroxy-16,16-Dimethyl-9-Oxoprosta-2,13-Dien-1-Oate

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Properties Simple | Detailed

Formula C23H38O5
IUPAC Name methyl (e)-7-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxy-4,4-dimethyl-oct-1-enyl]-5-oxo-cyclopentyl]hept-2-enoate
Molecular Mass 394.545 g·mol−1
Heat of Formation -1067.8 ± 16.7 kJ·mol−1
Dipole Moment 2.68 ± 1.08 D
Volume 537.82 Å 3
Surface Area 452.76 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy -0.11 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-7-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxy-4,4-dimethyl-oct-1-enyl]-5-keto-cyclopentyl]hept-2-enoic acid methyl ester
  • (e)-7-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]hept-2-enoic acid methyl ester
  • cergem
  • methyl (e)-7-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxy-4,4-dimethyl-oct-1-enyl]-5-oxo-cyclopentyl]hept-2-enoate
  • methyl (e)-7-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]hept-2-enoate
  • ono-802
  • sc-37681
InChIKey KYBOHGVERHWSSV-WUZYGKFZSA-N
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