(-)-Brucine

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Formula C23H26N2O4
IUPAC Name (4ar,5as,6s,8ar,13as,15as,15br)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2h-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one
Molecular Mass 394.464 g·mol−1
Heat of Formation -445.1 ± 16.7 kJ·mol−1
Dipole Moment 3.18 ± 1.08 D
Volume 442.69 Å 3
Surface Area 354.54 Å 2
HOMO Energy -7.97 ± 0.55 eV
LUMO Energy 3.26 ± eV
Point Group Symmetry C1
Synonyms
  • 357-57-3 (free base)
  • 4845-99-2 (monosulfate)
  • acon1_001990
  • bb_nc-0718
  • brucin
  • brucina
  • brucine
  • l-brucine
  • megxp0_001865
InChIKey RRKTZKIUPZVBMF-IBTVXLQLSA-N
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