(5Z,8R,9R,10E,12S)-8-Acetyl-9-Formyl-12-Hydroxy-5,10-Heptadecadienoic Acid

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Properties Simple | Detailed

Formula C20H32O5
IUPAC Name (5z,8r,9r,10e,12s)-8-acetyl-9-formyl-12-hydroxy-heptadeca-5,10-dienoic acid
Molecular Mass 352.465 g·mol−1
Heat of Formation -1012.8 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 483.04 Å 3
Surface Area 368.35 Å 2
HOMO Energy -9.87 ± 0.55 eV
LUMO Energy 0.18 ± eV
Point Group Symmetry C1
Synonyms
  • (5z,13e,15s)-15-hydroxy-9,11-dioxo-10,11-secoprosta-5,13-dienoate
  • (5z,8r,9r,10e,12s)-8-acetyl-9-formyl-12-hydroxy-heptadeca-5,10-dienoic acid
  • (5z,8r,9r,10e,12s)-8-acetyl-9-formyl-12-hydroxyheptadeca-5,10-dienoic acid
  • (5z,8r,9r,10e,12s)-8-ethanoyl-12-hydroxy-9-methanoyl-heptadeca-5,10-dienoic acid
  • 10,11-seco-9,11-dioxo-15s-hydroxy-5z,13e-prostadienoate
  • 10,11-seco-9,11-dioxo-15s-hydroxy-5z,13e-prostadienoic acid
  • 5,10-heptadecadienoic acid, 8-acetyl-9-formyl-12-hydroxy-, (8r-(5z,8r*,9r*,10e,12s*))-
  • levuglandin e2
  • lge2
  • lmfa03100001
CAS Number(s)
  • 91712-41-3
InChIKey WJWAORNTZNRHBP-QNUMDXCLSA-N
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