Bengamide E

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Formula C17H30N2O6
IUPAC Name (e,2r,3r,4s,5r)-3,4,5-trihydroxy-2-methoxy-8-methyl-n-[(3s)-2-oxoazepan-3-yl]non-6-enamide
Molecular Mass 358.430 g·mol−1
Heat of Formation -1177.1 ± 16.7 kJ·mol−1
Dipole Moment 6.33 ± 1.08 D
Volume 443.69 Å 3
Surface Area 351.81 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy 0.61 ± eV
Point Group Symmetry C1
Synonyms
  • (e,2r,3r,4s,5r)-3,4,5-trihydroxy-2-methoxy-8-methyl-n-[(3s)-2-oxo-3-azepanyl]non-6-enamide
  • (e,2r,3r,4s,5r)-3,4,5-trihydroxy-2-methoxy-8-methyl-n-[(3s)-2-oxoazepan-3-yl]non-6-enamide
  • (e,2r,3r,4s,5r)-3,4,5-trihydroxy-n-[(3s)-2-ketoazepan-3-yl]-2-methoxy-8-methyl-non-6-enamide
CAS Number(s)
  • 118477-03-5
InChIKey QBOZJYBWSKZELU-XMBAGFDESA-N
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