Taspine

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Formula C20H19NO6
IUPAC Name 5-[2-(dimethylamino)ethyl]-7,14-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione
Molecular Mass 369.368 g·mol−1
Heat of Formation -748.5 ± 16.7 kJ·mol−1
Dipole Moment 1.61 ± 1.08 D
Volume 411.79 Å 3
Surface Area 356.55 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 1.52 ± eV
Point Group Symmetry C1
Synonyms
  • (1)benzopyrano(5,4,3-cde)(1)benzopyran-5,10-dione, 1-(2-(dimethylamino)ethyl)-3,8-dimethoxy-
  • 1-(2-(dimethylamino)ethyl)-3,8-dimethoxychromeno(5,4,3-cde)chromene-5,10-dione hydrochloride
  • 1-(2-(dimethylamino)ethyl)-3,8-dimethoxychromeno[5,4,3-cde]chromene-5,10-dione
  • 1-(2-(dimethylamino)ethyl)-3,8-dimethoxychromeno[5,4,3-cde]chromene-5,10-dione hydrochloride
  • 74578-01-1(acetate salt)
  • thaspine
CAS Number(s)
  • 602-07-3
InChIKey MTAWKURMWOXCEO-UHFFFAOYSA-N
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