Methyl (2R,8S)-4-Hydroxy-2,8-Dimethyl-1-Oxo-6-[(5,6,7-Trimethoxy-1H-Indol-2-Yl)Carbonyl]-1,2,3,6,7,8-Hexahydropyrrolo[3,2-E]Indole-2-Carboxylate

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Properties Simple | Detailed

Formula C26H27N3O8
IUPAC Name methyl (2r,8s)-4-hydroxy-2,8-dimethyl-1-oxo-6-(5,6,7-trimethoxyindol-1-ium-2-carbonyl)-7,8-dihydro-3h-pyrrolo[3,2-e]indole-2-carboxylate
Molecular Mass 509.508 g·mol−1
Heat of Formation -981.0 ± 16.7 kJ·mol−1
Dipole Moment 2.83 ± 1.08 D
Volume 567.36 Å 3
Surface Area 487.55 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy 2.11 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,8s)-4-hydroxy-1-keto-2,8-dimethyl-6-(5,6,7-trimethoxy1h-indole-2-carbonyl)-7,8-dihydro-3h-pyrrolo[3,2-e]indole-2-carboxylic acid methyl ester
  • (2r,8s)-4-hydroxy-2,8-dimethyl-1-oxo-6-[oxo-(5,6,7-trimethoxy-1h-indol-2-yl)methyl]-7,8-dihydro-3h-pyrrolo[3,2-e]indole-2-carboxylic acid methyl ester
  • 4-hydroxy-2,8-dimethyl-1-oxo-6-(4,5,6-trimethoxy-1h-indole-2-carbonyl)-1,2,3,6,7,8-hexahydro-3,6-diaza-as-indacene-2-carboxylic acid methyl ester
  • duo
  • duocarmycin a
  • methyl (2r,8s)-4-hydroxy-2,8-dimethyl-1-oxo-6-(5,6,7-trimethoxy1h-indole-2-carbonyl)-7,8-dihydro-3h-pyrrolo[3,2-e]indole-2-carboxylate
  • methyl (2r,8s)-4-hydroxy-2,8-dimethyl-1-oxo-6-[(5,6,7-trimethoxy-1h-indol-2-yl)carbonyl]-7,8-dihydro-3h-pyrrolo[3,2-e]indole-2-carboxylate
InChIKey WQAYQZWERWNDPV-RPHGYIDUSA-N
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