Flustramine A

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Properties Simple | Detailed

Formula C21H29BrN2
IUPAC Name (3r,3ar,4s,8br)-6-bromo-8b-(1,1-dimethylallyl)-3-methyl-4-(3-methylbut-2-enyl)-2,3a-dihydro-1h-pyrrolo[2,3-b]indole
Molecular Mass 389.372 g·mol−1
Heat of Formation 127.2 ± 16.7 kJ·mol−1
Dipole Moment 6.04 ± 1.08 D
Volume 453.41 Å 3
Surface Area 343.59 Å 2
HOMO Energy -8.05 ± 0.55 eV
LUMO Energy 3.22 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar,8br)-6-bromo-3-methyl-8b-(2-methylbut-3-en-2-yl)-4-(3-methylbut-2-enyl)-2,3a-dihydro-1h-pyrrolo[2,3-b]indole
  • (3ar,8br)-6-bromo-8b-(1,1-dimethylprop-2-enyl)-3-methyl-4-(3-methylbut-2-enyl)-2,3a-dihydro-1h-pyrrolo[2,3-b]indole
  • 6-bromo-1-methyl-3a-(1,1-dimethyl-allyl)-8-(3-methyl-but-2-enyl)-1,2,3,3a,8,8a-hexahydro-pyrrolo[2,3-b]indole
  • 6-bromo-3a-(1,1-dimethyl-allyl)-1-methyl-8-(3-methyl-but-2-enyl)-1,2,3,3a,8,8a-hexahydro-pyrrolo[2,3-b]indole
  • pyrrolo[2,3-b]indole, 6-bromo-3a-(1,1-dimethyl-2-propenyl)-1,2,3,3a,8,8a-hexahydro-1-methyl-8-(3-methyl-2-butenyl)-, (3ar,8ar)-
  • rel-(3ar,8ar)-6-bromo-3a-(1,1-dimethylprop-2-en-1-yl)-1-methyl-8-(3-methylbut-2-en-1-yl)-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indole
CAS Number(s)
  • 71239-64-0
InChIKey AJYIZQUARKFPEC-TZIWHRDSSA-N
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Elements H C Br N