Methyl (16Z)-16-(Methoxymethylene)Coryn-18-En-17-Oate

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Properties Simple | Detailed

Formula C22H26N2O3
IUPAC Name methyl (z)-2-[(2s,3r,5r,12bs)-3-vinyl-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 366.453 g·mol−1
Heat of Formation -218.6 ± 16.7 kJ·mol−1
Dipole Moment 3.13 ± 1.08 D
Volume 451.74 Å 3
Surface Area 389.71 Å 2
HOMO Energy -8.19 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (16e)-16,17,18,19-tetradehydro-17-methoxycorynan-16-carboxylic acid methyl ester
  • (z)-2-[(2s,3r,12bs)-3-vinyl-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxyprop-2-enoic acid methyl ester
  • (z)-2-[(2s,3r,12bs)-3-vinyl-1,2,3,4,6,7,12,12b-octahydropyrido[2,1-a]$b-carbolin-2-yl]-3-methoxy-acrylic acid methyl ester
  • 17,18-secoyohimban-16-carboxylic acid, 16,17,18,19-tetradehydro-17-methoxy-, methyl ester, (e)-
  • corynantheine
  • hirsuteine
  • indolo[2,3-a]quinolizine-2-acetic acid, 3-ethenyl-1,2,3,4,6,7,12,12b-octahydro-.alpha.-(methoxymethylene)-, methyl ester, (.alpha.e,2s,3r,12bs)-
  • methyl (z)-2-[(2s,3r,12bs)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxy-prop-2-enoate
  • methyl (z)-2-[(2s,3r,12bs)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxyprop-2-enoate
  • methyl (z)-2-[(2s,3r,12bs)-3-vinyl-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxy-prop-2-enoate
InChIKey TZUGIFAYWNNSAO-CPHCKLLXSA-N
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