(1E,3E,5E,9R,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 C29H35NO5
IUPAC Name (1r,2z,4e,6e,10r,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 477.592 g·mol−1
Heat of Formation -608.6 ± 16.7 kJ·mol−1
Dipole Moment 7.75 ± 1.08 D
Volume 601.61 Å 3
Surface Area 436.97 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2e,4e,6e,10r,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,10r,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,10r,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-
  • hitachimycin
CAS Number(s)
  • 77642-19-4
InChIKey PLQKHNPZPRTISL-IRGACJLJSA-N
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