(13S,16As)-13-[(1S,2R)-1,2-Dihydroxyheptyl]-1,4,5,6,7,8,9,10,11,13,16,16A-Dodecahydropyrido[2,1-D][1,5,9]Triazacyclotridecin-2(3H)-One

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Formula C21H39N3O3
IUPAC Name (1r,13s,17s)-17-[(1s,2r)-1,2-dihydroxyheptyl]-1,5,10-triazabicyclo[11.4.0]heptadec-15-en-11-one
Molecular Mass 381.553 g·mol−1
Heat of Formation -703.3 ± 16.7 kJ·mol−1
Dipole Moment 6.07 ± 1.08 D
Volume 503.27 Å 3
Surface Area 416.04 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy 1.11 ± eV
Point Group Symmetry C1
Synonyms
  • (13s,17s)-17-[(1s,2r)-1,2-dihydroxyheptyl]-1,5,10-triazabicyclo[11.4.0]heptadec-15-en-11-one
  • cannabisativine
CAS Number(s)
  • 57682-64-1
InChIKey KZZKPJBKEJKNAK-HUUJSLGLSA-N
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