(1R,2S,3S,4S)-5-Cyano-3,7-Dihydroxy-3-Methyl-6,11-Dioxo-2,3,4,5,6,11-Hexahydro-1H-Benzo[B]Carbazole-1,2,4-Triyl Triacetate

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Properties Simple | Detailed

Formula C24H20N2O10
IUPAC Name [(1r,2s,3s,4s)-2,4-diacetoxy-5-cyano-3,7-dihydroxy-3-methyl-6,11-dioxo-2,4-dihydro-1h-benzo[b]carbazol-1-yl] acetate
Molecular Mass 496.423 g·mol−1
Heat of Formation -1422.7 ± 16.7 kJ·mol−1
Dipole Moment 2.71 ± 1.08 D
Volume 534.45 Å 3
Surface Area 432.39 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy 0.95 ± eV
Point Group Symmetry C1
Synonyms
  • 5h-benzo(b)carbazole-5-carbonitrile, 1,2,4-tris(acetyloxy)-1,2,3,4,6,11-hexahydro-3,7-dihydroxy-3-methyl-6,11-dioxo-, (1-alpha,2-beta,3-alpha,4-alpha)-
  • [(1r,2s,3s,4s)-1,4-diacetoxy-5-cyano-3,7-dihydroxy-3-methyl-6,11-dioxo-2,4-dihydro-1h-benzo[h]carbazol-2-yl] acetate
  • [(1r,2s,3s,4s)-1,4-diacetyloxy-5-cyano-3,7-dihydroxy-3-methyl-6,11-dioxo-2,4-dihydro-1h-benzo[h]carbazol-2-yl] ethanoate
  • acetic acid [(1r,2s,3s,4s)-1,4-diacetoxy-5-cyano-3,7-dihydroxy-3-methyl-6,11-dioxo-2,4-dihydro-1h-benzo[h]carbazol-2-yl] ester
  • acetic acid [(1r,2s,3s,4s)-1,4-diacetoxy-5-cyano-3,7-dihydroxy-6,11-diketo-3-methyl-2,4-dihydro-1h-benzo[h]carbazol-2-yl] ester
  • kinamycin c
CAS Number(s)
  • 35303-08-3
InChIKey BQWLWNOFIHHESO-SBFWRKJZSA-N
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