Basiliskamide B

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Properties Simple | Detailed

Formula C23H31NO4
IUPAC Name [(1r,3e,5z)-7-amino-1-[(1s,2s,3r)-2-hydroxy-1,3-dimethyl-pentyl]-7-oxo-hepta-3,5-dienyl] (e)-3-phenylprop-2-enoate
Molecular Mass 385.497 g·mol−1
Heat of Formation -658.3 ± 16.7 kJ·mol−1
Dipole Moment 3.17 ± 1.08 D
Volume 507.7 Å 3
Surface Area 403.41 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-phenylacrylic acid [(1r,3e,5z)-7-amino-1-[(1s,2s,3r)-2-hydroxy-1,3-dimethyl-pentyl]-7-keto-hepta-3,5-dienyl] ester
  • (e)-3-phenylprop-2-enoic acid [(1r,3e,5z)-7-amino-1-[(1s,2s,3r)-2-hydroxy-1,3-dimethylpentyl]-7-oxohepta-3,5-dienyl] ester
  • [(1r,3e,5z)-7-amino-1-[(1s,2s,3r)-2-hydroxy-1,3-dimethyl-pentyl]-7-oxo-hepta-3,5-dienyl] (e)-3-phenylprop-2-enoate
  • [(3r,4s,5s,6r,8e,10z)-12-amino-4-hydroxy-3,5-dimethyl-12-oxo-dodeca-8,10-dien-6-yl] (e)-3-phenylprop-2-enoate
  • [(3r,4s,5s,6r,8e,10z)-12-amino-4-hydroxy-3,5-dimethyl-12-oxododeca-8,10-dien-6-yl] (e)-3-phenylprop-2-enoate
InChIKey HCZNVGHFFHRIFM-HXKCHMFGSA-N
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