Methyl (5S)-5-Acetamido-9,10,11-Trimethoxy-6,7-Dihydro-5H-Dibenzo[A,C][7]Annulene-3-Carboxylate

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Formula C22H25NO6
IUPAC Name methyl (7s)-7-acetamido-1,2,3-trimethoxy-6,7-dihydro-5h-dibenzo[1,2-b:5',3'-e][7]annulene-9-carboxylate
Molecular Mass 399.437 g·mol−1
Heat of Formation -880.3 ± 16.7 kJ·mol−1
Dipole Moment 6.78 ± 1.08 D
Volume 472.9 Å 3
Surface Area 382.44 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • 5h-dibenzo(a,c)cycloheptene-3-carboxylic acid, 6,7-dihydro-5-(acetylamino)-9,10,11-trimethoxy-, methyl ester, (s)-
  • allocolchicin
CAS Number(s)
  • 641-28-1
InChIKey NMKUAEKKJQYLHK-KRWDZBQOSA-N
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