4-{[(3E,5E,8S,9E,11Z,14S,16R,17E,19E,24R)-14,16-Dihydroxy-24-Methyl-2-Oxooxacyclotetracosa-3,5,9,11,17,19-Hexaen-8-Yl]Oxy}-4-Oxobutanoic Acid

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Properties Simple | Detailed

Formula C28H38O8
IUPAC Name carbon dioxide; molecular oxygen; 22-oxabicyclo[21.1.0]tetracos-1(23)-en-2,4,6,11,13,15,17,19-octayne-8,10,21-trione
Molecular Mass 502.597 g·mol−1
Heat of Formation -1341.6 ± 16.7 kJ·mol−1
Dipole Moment 1.52 ± 1.08 D
Volume 646.23 Å 3
Surface Area 556.72 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[(3e,5e,8s,9e,11z,14s,16r,17e,19e,24r)-14,16-dihydroxy-2-keto-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy]-4-keto-butyric acid
  • 4-[[(3e,5e,8s,9e,11z,14s,16r,17e,19e,24r)-14,16-dihydroxy-24-methyl-2-oxo-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy]-4-oxo-butanoic acid
  • 4-[[(3e,5e,8s,9e,11z,14s,16r,17e,19e,24r)-14,16-dihydroxy-24-methyl-2-oxo-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy]-4-oxobutanoic acid
InChIKey QPJULYYJHQTWML-NFFDZZBXSA-N
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