(4Br,5S,11Bs)-1,2-Dimethoxy-12-Methyl-4B,5,6,11B,12,13-Hexahydro[1,3]Benzodioxolo[5,6-C]Phenanthridin-5-Ol

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Properties Simple | Detailed

Formula C21H23NO5
IUPAC Name (4br,5s,11bs)-1,2-dimethoxy-12-methyl-5,6,11b,13-tetrahydro-4bh-[1,3]benzodioxolo[5,6-c]phenanthridin-5-ol
Molecular Mass 369.411 g·mol−1
Heat of Formation -576.0 ± 16.7 kJ·mol−1
Dipole Moment 3.09 ± 1.08 D
Volume 427.17 Å 3
Surface Area 355.51 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (+/-)-homochelidonine
  • (4br-(4balpha,5beta,11balpha))-4b,5,6,11b,12,13-hexahydro-1,2-dimethoxy-12-methyl(1,3)benzodioxolo(5,6-c)phenanthridin-5-ol
CAS Number(s)
  • 476-33-5
InChIKey MADYLZJCRKUBIK-RYGJVYDSSA-N
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