Pseudodestruxin A

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Formula C37H57N5O7
IUPAC Name (3s,10s,13s,16s,19s)-16-benzyl-3,10-diisobutyl-11,14-dimethyl-13-[(1s)-1-methylpropyl]-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
Molecular Mass 683.878 g·mol−1
Heat of Formation -1393.2 ± 16.7 kJ·mol−1
Dipole Moment 1.75 ± 1.08 D
Volume 878.6 Å 3
Surface Area 623.28 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 0.22 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,10s,13s,16s,19s)-13-[(2s)-butan-2-yl]-11,14-dimethyl-3,10-bis(2-methylpropyl)-16-(phenylmethyl)-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
  • (3s,10s,13s,16s,19s)-16-(benzyl)-3,10-diisobutyl-11,14-dimethyl-13-sec-butyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-triquinone
  • (3s,10s,13s,16s,19s)-3,10-diisobutyl-11,14-dimethyl-16-(phenylmethyl)-13-sec-butyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
InChIKey MDOMEJMFUHIERW-KZECFEFESA-N
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