(5E,8R,9E,11Z)-8-Acetyl-9-Formyl-5,9,11-Heptadecatrienoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C20H30O4
IUPAC Name (5e,8r,9e,11z)-8-acetyl-9-formyl-heptadeca-5,9,11-trienoic acid
Molecular Mass 334.450 g·mol−1
Heat of Formation -768.9 ± 16.7 kJ·mol−1
Dipole Moment 4.60 ± 1.08 D
Volume 456.46 Å 3
Surface Area 356.2 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (5e,8r,9e,11z)-8-acetyl-9-formyl-heptadeca-5,9,11-trienoic acid
  • (5e,8r,9e,11z)-8-acetyl-9-formylheptadeca-5,9,11-trienoic acid
  • (5e,8r,9e,11z)-8-ethanoyl-9-methanoyl-heptadeca-5,9,11-trienoic acid
  • anhydrolevuglandin e2
CAS Number(s)
  • 121843-91-2
InChIKey MJHZHXOYFNMTIG-XVEPUDQLSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O