Microsphaerone A

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Formula C22H27NO8
IUPAC Name (8e,10e)-11-[5-[[(3s)-3-carboxybutanoyl]carbamoyl]-4-oxo-pyran-2-yl]undeca-8,10-dienoic acid
Molecular Mass 433.452 g·mol−1
Heat of Formation -1386.4 ± 16.7 kJ·mol−1
Dipole Moment 7.25 ± 1.08 D
Volume 515.94 Å 3
Surface Area 486.53 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy 1.48 ± eV
Point Group Symmetry C1
Synonyms
  • (8e,10e)-11-(5-{[(3-carboxybutanoyl)amino]carbonyl}-4-oxo-4h-pyran-2-yl)undeca-8,10-dienoic acid
  • (8e,10e)-11-[5-[[(3s)-4-hydroxy-3-methyl-4-oxo-butanoyl]carbamoyl]-4-oxo-pyran-2-yl]undeca-8,10-dienoic acid
  • (8e,10e)-11-[5-[[(3s)-4-hydroxy-3-methyl-4-oxobutanoyl]carbamoyl]-4-oxopyran-2-yl]undeca-8,10-dienoic acid
  • (8e,10e)-11-[5-[[(3s)-4-hydroxy-4-keto-3-methyl-butanoyl]carbamoyl]-4-keto-pyran-2-yl]undeca-8,10-dienoic acid
  • (8e,10e)-11-[5-[[[(3s)-4-hydroxy-3-methyl-1,4-dioxobutyl]amino]-oxomethyl]-4-oxo-2-pyranyl]undeca-8,10-dienoic acid
  • 11-[5-(3-carboxy-butyrylcarbamoyl)-4-oxo-4h-pyran-2-yl]-undeca-8,10-dienoic acid
  • 8,10-undecadienoic acid, 11-[5-[[[(3s)-3-carboxy-1-oxobutyl]amino]carbonyl]-4-oxo-4h-pyran-2-yl]-, (8e,10e)-
InChIKey VXFQAPGOPXEMPB-ZDHJVBDKSA-N
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