Methyl (16E)-9-Hydroxy-16-(Methoxymethylene)Corynan-17-Oate

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Properties Simple | Detailed

Formula C22H28N2O4
IUPAC Name methyl (e)-2-[(2s,3r,5r,12bs)-3-ethyl-8-hydroxy-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 384.469 g·mol−1
Heat of Formation -531.3 ± 16.7 kJ·mol−1
Dipole Moment 5.54 ± 1.08 D
Volume 462.99 Å 3
Surface Area 396.98 Å 2
HOMO Energy -7.96 ± 0.55 eV
LUMO Energy 0.00 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-2-[(2s,3r,12bs)-3-ethyl-8-hydroxy-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)-3-ethyl-8-hydroxy-1,2,3,4,6,7,12,12b-octahydropyrido[2,1-a]$b-carbolin-2-yl]-3-methoxy-acrylic acid methyl ester
  • corynan-16-carboxylic acid, 16,17-didehydro-9-hydroxy-17-methoxy-, methyl ester, (16e)-
  • methyl (e)-2-[(2s,3r,12bs)-3-ethyl-8-hydroxy-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-ethyl-8-hydroxy-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxyprop-2-enoate
CAS Number(s)
  • 29472-77-3
InChIKey IIRZCWUQUBSIPF-ZZTFNPIZSA-N
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