(1R,12Bs,12Cs)-2,4,5,7,12B,12C-Hexahydro-1H-[1,3]Dioxolo[4,5-J]Pyrrolo[3,2,1-De]Phenanthridin-1-Ol

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Properties Simple | Detailed

Formula C16H17NO3
IUPAC Name (1r,12bs,12cs)-2,4,5,7,12b,12c-hexahydro-1h-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-1-ol
Molecular Mass 271.311 g·mol−1
Heat of Formation -266.0 ± 16.7 kJ·mol−1
Dipole Moment 1.14 ± 1.08 D
Volume 308.3 Å 3
Surface Area 270.49 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,12bs,12cs)-1,2,4,5,12b,12c-hexahydro-7h-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-1-ol
  • 9,10-methylenedioxygalanth-3(12)-en-1alpha-ol
CAS Number(s)
  • 477-12-3
InChIKey XKYSLILSDJBMCU-DAXOMENPSA-N
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