Methyl-(19α,20α)-19-Methyl-16,17-Didehydro-18-Oxayohimban-16-Carboxylat

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Formula C21H24N2O3
IUPAC Name methyl (1s,13r,15s,16s,20s)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
Molecular Mass 352.427 g·mol−1
Heat of Formation -324.0 ± 16.7 kJ·mol−1
Dipole Moment 3.37 ± 1.08 D
Volume 419.27 Å 3
Surface Area 357.34 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
Synonyms
  • 16,17-didehydro-19-methyloxayohimban-16-carboxylic acid, methyl ester
  • alstonine, 3,4,5,6-tetrahydro
  • alstonine, 3,4,5,6-tetrahydro- (8ci)
  • alstonine, 3,4,5,6-tetrahydro-, (3alpha)-
  • methyl (19alpha,20alpha)-16,17-didehydro-19-methyloxayohimban-16-carboxylate
  • oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, (19-alpha,20-alpha)-
  • pdsp2_001642
  • tetrahydroalstonine
CAS Number(s)
  • 6474-90-4
InChIKey GRTOGORTSDXSFK-DLLGKBFGSA-N
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