(7As)-11-Methoxy-7-Methyl-6,7,7A,8-Tetrahydro-5H-[1,3]Benzodioxolo[6,5,4-De]Benzo[G]Quinolin-10-Ol

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Formula C19H19NO4
IUPAC Name (7as)-11-methoxy-7-methyl-6,7,7a,8-tetrahydro-5h-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-10-ol
Molecular Mass 325.358 g·mol−1
Heat of Formation -412.6 ± 16.7 kJ·mol−1
Dipole Moment 2.90 ± 1.08 D
Volume 365.12 Å 3
Surface Area 320.75 Å 2
HOMO Energy -8.27 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-cassythicine
CAS Number(s)
  • 5890-28-8
InChIKey MPWZJVCAMFAIGV-ZDUSSCGKSA-N
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