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

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Formula C28H28N2O10
IUPAC Name [(1s,2r,3s,4r)-1-acetyloxy-5-cyano-3,7-dihydroxy-3-methyl-4-(2-methylpropanoyloxy)-6,11-dioxo-2,4-dihydro-1h-benzo[h]carbazol-2-yl] 2-methylpropanoate
Molecular Mass 552.529 g·mol−1
Heat of Formation -1518.7 ± 16.7 kJ·mol−1
Dipole Moment 4.72 ± 1.08 D
Volume 624.25 Å 3
Surface Area 484.97 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy 1.13 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methylpropanoic acid [(1s,2r,3s,4r)-1-acetoxy-5-cyano-3,7-dihydroxy-3-methyl-4-(2-methyl-1-oxopropoxy)-6,11-dioxo-2,4-dihydro-1h-benzo[h]carbazol-2-yl] ester
  • 2-methylpropionic acid [(1s,2r,3s,4r)-1-acetoxy-5-cyano-3,7-dihydroxy-4-isobutyryloxy-6,11-diketo-3-methyl-2,4-dihydro-1h-benzo[h]carbazol-2-yl] ester
  • [(1s,2r,3s,4r)-1-acetoxy-5-cyano-3,7-dihydroxy-3-methyl-4-(2-methylpropanoyloxy)-6,11-dioxo-2,4-dihydro-1h-benzo[h]carbazol-2-yl] 2-methylpropanoate
  • a 83016a
  • a-83016a
  • propanoic acid, 2-methyl-, 1-(acetyloxy)-5-cyano-2,3,4,5,6,11-hexahydro-3,7-dihydroxy-3-methyl-6,11-dioxo-1h-benzo(b)carbazole-2,4-diyl ester, (1s-(1alpha,2beta,3alpha,4alpha))-
CAS Number(s)
  • 142383-42-4
InChIKey UOYACWUCXHEGPZ-FQJHJXCSSA-N
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