(1S,12R)-12-(16,17-Dimethoxy-1-Methyl-21-Oxo-3,4-Didehydro-19,21-Epoxyaspidospermidin-15-Yl)-7-Hydroxy-15-Methyl-5,15-Diazatetracyclo[10.3.1.0~1,5~.0~6,11~]Hexadeca-6,8,10-Triene-4,16-Dione

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Formula C37H40N4O7
IUPAC Name (1s,12r)-12-(16,17-dimethoxy-1-methyl-21-oxo-3,4-didehydro-19,21-epoxyaspidospermidin-15-yl)-7-hydroxy-15-methyl-5,15-diazatetracyclo[10.3.1.0 1,5 .0 6,11 ]hexadeca-6,8,10-triene-4,16-dione
Molecular Mass 652.736 g·mol−1
Heat of Formation -835.9 ± 16.7 kJ·mol−1
Dipole Moment 6.41 ± 1.08 D
Volume 734.36 Å 3
Surface Area 503.95 Å 2
HOMO Energy -8.12 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
Synonyms
  • haplophytine
CAS Number(s)
  • 16625-20-0
InChIKey SFSFAWRKKRGBKI-ZLEWMSNTSA-N
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