Basiliskamide A

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Properties Simple | Detailed

Formula C23H31NO4
IUPAC Name [(1s,2r,3r,5e,7e)-9-amino-3-hydroxy-2-methyl-1-[(1r)-1-methylpropyl]-9-oxo-nona-5,7-dienyl] (e)-3-phenylprop-2-enoate
Molecular Mass 385.497 g·mol−1
Heat of Formation -622.9 ± 16.7 kJ·mol−1
Dipole Moment 3.70 ± 1.08 D
Volume 499.83 Å 3
Surface Area 444.6 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-phenylacrylic acid [(1s,2r,3r,5e,7e)-9-amino-3-hydroxy-9-keto-2-methyl-1-sec-butyl-nona-5,7-dienyl] ester
  • (e)-3-phenylprop-2-enoic acid [(1s,2r,3r,5e,7e)-9-amino-3-hydroxy-2-methyl-9-oxo-1-sec-butylnona-5,7-dienyl] ester
  • [(1s,2r,3r,5e,7e)-9-amino-3-hydroxy-2-methyl-9-oxo-1-sec-butyl-nona-5,7-dienyl] (e)-3-phenylprop-2-enoate
  • [(3r,4s,5r,6r,8e,10e)-12-amino-6-hydroxy-3,5-dimethyl-12-oxo-dodeca-8,10-dien-4-yl] (e)-3-phenylprop-2-enoate
  • [(3r,4s,5r,6r,8e,10e)-12-amino-6-hydroxy-3,5-dimethyl-12-oxododeca-8,10-dien-4-yl] (e)-3-phenylprop-2-enoate
InChIKey QAHZDGAHECEVRM-XXVMQOJQSA-N
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