Lyngbyatoxin C

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Properties Simple | Detailed

Formula C27H39N3O3
IUPAC Name lyngbyatoxin c
Molecular Mass 453.617 g·mol−1
Heat of Formation -457.8 ± 16.7 kJ·mol−1
Dipole Moment 8.06 ± 1.08 D
Volume 583.16 Å 3
Surface Area 426.72 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • 3h-pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 9-(1-ethenyl-5-hydroxy-1,5-dimethyl-3-hexenyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-, (2s-(2r*,5r*,9(s*)))-
CAS Number(s)
  • 133084-53-4
InChIKey VMLLPMJDAXPWAA-PIKNDIPASA-N
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