1-[(13S)-1,2-Dimethoxy-12-Methyl-12,13-Dihydro[1,3]Benzodioxolo[5,6-C]Phenanthridin-13-Yl]Acetone

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Formula C24H23NO5
IUPAC Name 1-[(12r,13s)-1,2-dimethoxy-12-methyl-13h-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl]propan-2-one
Molecular Mass 405.443 g·mol−1
Heat of Formation -507.0 ± 16.7 kJ·mol−1
Dipole Moment 2.50 ± 1.08 D
Volume 470.13 Å 3
Surface Area 382.13 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy 2.12 ± eV
Point Group Symmetry C1
Synonyms
  • 13-(2-oxopropyl)dihydrochelerythrine
  • 13-acetonyldihydrochelerythrine
  • 2-propanone, 1-((13s)-12,13-dihydro-1,2-dimethoxy-12-methyl(1,3)benzodioxolo(5,6-c)phenanthridin-13-yl)-
  • acetonylchelerythrine
  • acetonyldihydrochelerythrine
  • chelerythrine acetonate
  • chelerythrine, 13.beta.-acetonyl-12,13-dihydro-
CAS Number(s)
  • 22864-92-2
InChIKey VGTQLFWIJIABSU-SFHVURJKSA-N
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