Methyl (3β,16E)-16-(Methoxymethylene)Coryn-18-En-17-Oate

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Properties Simple | Detailed

Formula C22H26N2O3
IUPAC Name methyl (e)-2-[(2s,3r,5r,12br)-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 -257.5 ± 16.7 kJ·mol−1
Dipole Moment 6.07 ± 1.08 D
Volume 448.69 Å 3
Surface Area 373.18 Å 2
HOMO Energy -7.95 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
Synonyms
  • (3-beta,16e)-16,17,18,19-tetradehydro-17-methoxy-corynan-16-carboxylic acid methyl ester
  • (e)-2-[(2s,3r,12br)-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,12br)-3-vinyl-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, 16,17,18,19-tetradehydro-17-methoxy-, methyl ester, (3-beta,16e)-
  • corynan-16-carboxylic acid, 16,17,18,19-tetrahydro-17-methoxy-, methyl ester, (3beta,16e)-
  • delta(sup 18)-hirsutine
  • methyl (e)-2-[(2s,3r,12br)-3-ethenyl-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,12br)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxyprop-2-enoate
  • methyl (e)-2-[(2s,3r,12br)-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)
  • 35467-43-7
InChIKey TZUGIFAYWNNSAO-AZQGJTAVSA-N
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