Methyl (2R,8S)-8-(Bromomethyl)-4-Hydroxy-2-Methyl-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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Formula C26H26BrN3O8
IUPAC Name methyl (2r,8s)-8-(bromomethyl)-4-hydroxy-2-methyl-1-oxo-6-[5,6,7-tri(methoxy)-4h-indol-1-ium-4-ide-2-carbonyl]-7,8-dihydro-3h-pyrrolo[3,2-e]indole-2-carboxylate
Molecular Mass 588.404 g·mol−1
Heat of Formation 347.8 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 629.04 Å 3
Surface Area 534.51 Å 2
Point Group Symmetry C1
Synonyms
  • (2r,8s)-8-(bromomethyl)-4-hydroxy-1-keto-2-methyl-6-(5,6,7-trimethoxy1h-indole-2-carbonyl)-7,8-dihydro-3h-pyrrolo[3,2-e]indole-2-carboxylic acid methyl ester
  • (2r,8s)-8-(bromomethyl)-4-hydroxy-2-methyl-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
  • benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 8-(bromomethyl)-1,2,3,6,7,8-hexahydro-4-hydroxy-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1h-indol-2-yl)carbonyl)-, methyl ester, (2r-trans)-
  • duocarmycin b2
  • methyl (2r,8s)-8-(bromomethyl)-4-hydroxy-2-methyl-1-oxo-6-(5,6,7-trimethoxy1h-indole-2-carbonyl)-7,8-dihydro-3h-pyrrolo[3,2-e]indole-2-carboxylate
  • methyl (2r,8s)-8-(bromomethyl)-4-hydroxy-2-methyl-1-oxo-6-[(5,6,7-trimethoxy-1h-indol-2-yl)carbonyl]-7,8-dihydro-3h-pyrrolo[3,2-e]indole-2-carboxylate
CAS Number(s)
  • 124325-94-6
InChIKey UQPQXFUURNIVNJ-MZHQLVBMSA-N
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