Mitragynine

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Properties Simple | Detailed

Formula C23H30N2O4
IUPAC Name methyl (e)-2-[(2s,3s,5r,12bs)-3-ethyl-8-methoxy-2,3,4,6,7,12b-hexahydro-1h-indolo[2,3-a]quinolizin-12-ium-12a-ylium-2-yl]-3-methoxy-prop-2-enoate
Molecular Mass 398.495 g·mol−1
Heat of Formation -482.1 ± 16.7 kJ·mol−1
Dipole Moment 5.60 ± 1.08 D
Volume 494.17 Å 3
Surface Area 410.06 Å 2
HOMO Energy -8.03 ± 0.55 eV
LUMO Energy 0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-2-[(2s,3s,12bs)-3-ethyl-8-methoxy-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,3s,12bs)-3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydropyrido[2,1-a]$b-carbolin-2-yl]-3-methoxy-acrylic acid methyl ester
  • 16,17-didehydro-9,17-dimethoxy-17,18-seco-20-alpha-yohimban-16-carboxylic acid methyl ester
  • methyl (e)-2-[(2s,3s,12bs)-3-ethyl-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,3s,12bs)-3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxyprop-2-enoate
  • sk&f 12711
  • skf 12711
CAS Number(s)
  • 4098-40-2
InChIKey LELBFTMXCIIKKX-QVRQZEMUSA-N
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