(1E,3E,5E,9S,11E,15S,19S,20Ar)-15,18-Dihydroxy-19-Methoxy-2-Methyl-9-Phenyl-9,10,13,14,15,16,20,20A-Octahydrocyclopenta[I]Azacyclononadecine-7,17(8H,19H)-Dione

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Formula C29H34NO5
IUPAC Name (1r,2z,4e,6e,10s,12e,16s,21s)-16,20-dihydroxy-21-methoxy-3-methyl-10-phenyl-9-azabicyclo[17.3.0]docosa-2,4,6,12,19-pentaene-8,18-dione
Molecular Mass 476.584 g·mol−1
Heat of Formation -611.7 ± 16.7 kJ·mol−1
Dipole Moment 6.82 ± 1.08 D
Volume 611.1 Å 3
Surface Area 474.01 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy 2.51 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2e,4e,6e,10s,12e,16s,21s)-16,20-dihydroxy-21-methoxy-3-methyl-10-phenyl-9-azabicyclo[17.3.0]docosa-2,4,6,12,19-pentaene-8,18-dione
  • (1r,2e,4e,6e,10s,12e,16s,21s)-16,20-dihydroxy-21-methoxy-3-methyl-10-phenyl-9-azabicyclo[17.3.0]docosa-2,4,6,12,19-pentaene-8,18-quinone
  • (1r,2z,4e,6e,10s,12e,16s,21s)-16,20-dihydroxy-21-methoxy-3-methyl-10-phenyl-9-azabicyclo[17.3.0]docosa-2,4,6,12,19-pentaene-8,18-quinone
  • cyclopent[i]azacyclononadecine-7,17(8h,19h)-dione, 9,10,13,14,15,16,20,20a-octahydro-15,18-dihydroxy-19-methoxy-2-methyl-9-phenyl-,(1z,3e,5e,9s,11e,15s,19s,20ar)-
InChIKey PLQKHNPZPRTISL-PVETXTHTSA-N
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