(5S,5As,12Bs,12Cs)-5-Hydroxy-8-Methoxy-1-Methyl-2,3,5,5A,12B,12C-Hexahydro[1,3]Dioxolo[6,7]Isochromeno[3,4-G]Indol-7(1H)-One

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Formula C18H19NO6
IUPAC Name (5s,5as,12bs,12cs)-5-hydroxy-8-methoxy-1-methyl-2,3,5,5a,12b,12c-hexahydro[1,3]dioxolo[6,7]isochromeno[3,4-g]indol-7(1h)-one
Molecular Mass 345.347 g·mol−1
Heat of Formation -757.4 ± 16.7 kJ·mol−1
Dipole Moment 5.74 ± 1.08 D
Volume 379.5 Å 3
Surface Area 321.09 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • candimine
CAS Number(s)
  • 24585-19-1
InChIKey OLGJGNBIBXKMJN-OBCWZRDOSA-N
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