Paynantheine

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Properties Simple | Detailed

Formula C23H28N2O4
IUPAC Name methyl (e)-2-[(2s,3r,5r,12bs)-8-methoxy-3-vinyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxy-prop-2-enoate
Molecular Mass 396.479 g·mol−1
Heat of Formation -382.5 ± 16.7 kJ·mol−1
Dipole Moment 5.29 ± 1.08 D
Volume 483.7 Å 3
Surface Area 408.9 Å 2
HOMO Energy -8.04 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-2-[(2s,3r,12bs)-8-methoxy-3-vinyl-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxyprop-2-enoic acid methyl ester
  • (e)-2-[(2s,3r,12bs)-8-methoxy-3-vinyl-1,2,3,4,6,7,12,12b-octahydropyrido[2,1-a]$b-carbolin-2-yl]-3-methoxy-acrylic acid methyl ester
  • indolo(2,3-a)quinolizine, corynan-16-carboxylic acid deriv
  • indolo(2,3-a)quinolizine-2-acetic acid, 3-ethenyl-1,2,3,4,6,7,12,12b-octahydro-8-methoxy-alpha-(methoxymethylene)-, methyl ester (alphae,2s,3r,12bs)-
  • methyl (e)-2-[(2s,3r,12bs)-3-ethenyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxy-prop-2-enoate
  • methyl (e)-2-[(2s,3r,12bs)-3-ethenyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxyprop-2-enoate
  • methyl (e)-2-[(2s,3r,12bs)-8-methoxy-3-vinyl-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxy-prop-2-enoate
CAS Number(s)
  • 1346-36-7
  • 4697-66-9
InChIKey JGZKIGWXPPFMRG-CYSPOEIOSA-N
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