Cephaeline

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Properties Simple | Detailed

Formula C28H38N2O4
IUPAC Name (1r)-1-[[(2s,3r,5r,11bs)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1h-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
Molecular Mass 466.612 g·mol−1
Heat of Formation -551.1 ± 16.7 kJ·mol−1
Dipole Moment 2.52 ± 1.08 D
Volume 579.13 Å 3
Surface Area 490.82 Å 2
HOMO Energy -8.11 ± 0.55 eV
LUMO Energy 3.10 ± eV
Point Group Symmetry C1
Synonyms
  • 5853-29-2 (dihydrochloride)
  • 7',10,11-trimethoxyemetan-6'-ol
  • acon1_001325
  • bpbio1_000458
  • cephaelinel
  • isoquinoline alkaloid
  • megxp0_001992
CAS Number(s)
  • 483-17-0
InChIKey DTGZHCFJNDAHEN-OZEXIGSWSA-N
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