Methyl (5α,12Beta,19α)-2,3,6,7-Tetradehydroaspidospermidine-3-Carboxylate

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Properties Simple | Detailed

Formula C21H24N2O2
IUPAC Name methyl (1r,12r,16r,19s)-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaene-10-carboxylate
Molecular Mass 336.427 g·mol−1
Heat of Formation -128.9 ± 16.7 kJ·mol−1
Dipole Moment 2.76 ± 1.08 D
Volume 405.99 Å 3
Surface Area 329.99 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • (5alpha,12beta,19alpha)-2,3,6,7-tetradehydroaspidospermidine-3-carboxylic acid, methyl ester
  • aspidospermidine-3-carboxylic acid, 2,3,6,7-tetradehydro-, methyl ester, (5alpha,12beta,19alpha)-
  • aspidospermidine-3-carboxylic acid, 2,3,6,7-tetrahydro-, methyl ester, (5-alpha,
  • aspidospermidine-3-carboxylic acid, 2,3,6,7-tetrahydro-, methyl ester, (5-alpha,12-beta,19-alpha)-
  • methyl 2,3,6,7-tetradehydro-5alpha,12beta,19alpha-aspidospermidine-3-carboxylate
  • tabersonin
  • tabersonine
CAS Number(s)
  • 4429-63-4
InChIKey FNGGIPWAZSFKCN-ACRUOGEOSA-N
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