(3S,3As,5Ar,5Bs,11As,11Bs,12S,13Ar)-12-Hydroxy-3,11A-Dimethyl-3,3A,4,5,5A,5B,6,7,11A,11B,12,13-Dodecahydro-1H-Naphtho[2',1':4,5]Indeno[1,7A-C]Pyrrole-1,9(2H)-Dione

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Formula C21H27NO3
IUPAC Name (3s,3as,5ar,5bs,11as,11bs,12s,13ar)-12-hydroxy-3,11a-dimethyl-3,3a,4,5,5a,5b,6,7,11a,11b,12,13-dodecahydro-1h-naphtho[2',1':4,5]indeno[1,7a-c]pyrrole-1,9(2h)-dione
Molecular Mass 341.444 g·mol−1
Heat of Formation -511.6 ± 16.7 kJ·mol−1
Dipole Moment 8.78 ± 1.08 D
Volume 411.67 Å 3
Surface Area 324.73 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • 12-hydroxy-3,11a-dimethyl-3,3a,4,5,5a,5b,6,7,11a,11b,12,13-dodecahydro-1h-naphtho[2',1':4,5]indeno[1,7a-c]pyrrole-1,9(2h)-dione
  • 12-hydroxy-3,11a-dimethyl-3,3a,4,5,5a,5b,6,7,11a,11b,12,13-dodecahydro-2h-2-aza-pentaleno[1,6a-a]phenanthrene-1,9-dione
  • 1h-naphth[2',1':4,5]indeno[1,7a-c]pyrrole-1,9(2h)-dione, 3,3a,4,5,5a,5b,6,7,11a,11b,12,13-dodecahydro-12-hydroxy-3,11a-dimethyl-
  • 3,18-dioxo-11alpha-hydroxy-cona-1,4-diene
  • pubamide
InChIKey ZFDFFZSCUSDQEX-CKEGMNNYSA-N
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