Methyl (3β,15β,19Alpha,20Alpha)-19-Methyl-16,17-Didehydro-18-Oxayohimban-16-Carboxylate

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Properties Simple | Detailed

Formula C21H24N2O3
IUPAC Name methyl (1r,13s,15s,16s,20r)-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 -312.6 ± 16.7 kJ·mol−1
Dipole Moment 4.04 ± 1.08 D
Volume 418.16 Å 3
Surface Area 360.2 Å 2
HOMO Energy -8.21 ± 0.55 eV
LUMO Energy 0.08 ± eV
Point Group Symmetry C1
Synonyms
  • oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester
  • pdsp1_001658
InChIKey GRTOGORTSDXSFK-DNQNPRGNSA-N
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