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

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Properties Simple | Detailed

Formula C22H28N2O3
IUPAC Name methyl (e)-2-[(2s,3r,5r,12bs)-3-ethyl-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 368.469 g·mol−1
Heat of Formation -340.3 ± 16.7 kJ·mol−1
Dipole Moment 4.21 ± 1.08 D
Volume 454.58 Å 3
Surface Area 391.62 Å 2
HOMO Energy -8.06 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-2-[(2s,3r,12bs)-3-ethyl-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-1,2,3,4,6,7,12,12b-octahydropyrido[2,1-a]$b-carbolin-2-yl]-3-methoxy-acrylic acid methyl ester
  • 18,19-dihydrocorynantheine
  • corynan-16-carboxylic acid, 16,17-didehydro-17-methoxy-, methyl ester, (16e)-
  • corynantheine, dihydro- (6ci,7ci)
  • methyl (e)-2-[(2s,3r,12bs)-3-ethyl-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-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxyprop-2-enoate
CAS Number(s)
  • 50439-68-4
InChIKey NMLUOJBSAYAYEM-XPOGPMDLSA-N
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