Methyl (3Br,4As)-8-Oxo-6-[(5,6,7-Trimethoxy-1H-Indol-2-Yl)Carbonyl]-1,4,4A,5,6,8-Hexahydrocyclopropa[C]Pyrrolo[3,2-E]Indole-2-Carboxylate

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Formula C25H23N3O7
IUPAC Name methyl (3br,4as)-8-oxo-6-[(5,6,7-trimethoxy-1h-indol-2-yl)carbonyl]-1,4,4a,5,6,8-hexahydrocyclopropa[c]pyrrolo[3,2-e]indole-2-carboxylate
Molecular Mass 477.466 g·mol−1
Heat of Formation -611.7 ± 16.7 kJ·mol−1
Dipole Moment 5.36 ± 1.08 D
Volume 524.34 Å 3
Surface Area 461.44 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-duocarmycin sa
  • antibiotic dc113
  • cyclopropa(c)pyrrolo(3,2-e)indole-6-carboxylic acid, 1,2,4,5,8,8a-hexahydro-4-oxo-2-((5,6,7-trimethoxy-1h-indol-2-yl)carbonyl)-, methyl ester, (7br)-
  • duocarmycin sa
CAS Number(s)
  • 130288-24-3
InChIKey VQNATVDKACXKTF-XELLLNAOSA-N
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