1,7,9,11-Tetrahydroxy-13,13-Dimethyl-3-Pentylbenzo[A]Tetracen-8(13H)-One

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Properties Simple | Detailed

Formula C27H12O5
IUPAC Name 1,7,9,11-tetrahydroxy-13,13-dimethyl-3-pentylbenzo[a]tetracen-8-one
Molecular Mass 416.381 g·mol−1
Heat of Formation 2695.4 ± 16.7 kJ·mol−1
Dipole Moment 7.66 ± 1.08 D
Volume 425.41 Å 3
Surface Area 359.49 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -2.48 ± eV
Point Group Symmetry C1
Synonyms
  • 13,13-dimethyl-3-pentyl-1,7,9,11-tetrahydroxybenzo(a)naphthacen-8(13h)-one
  • benastatin c
  • benzo(a)naphthacen-8(13h)-one, 1,7,9,11-tetrahydroxy-13,13-dimethyl-3-pentyl-
  • benzo(a)naphthacen-8(13h)-one, 13,13-dimethyl-3-pentyl-1,7,9,11-tetrahydroxy-
CAS Number(s)
  • 150151-88-5
InChIKey QUNHGOCXEGJZAT-UHFFFAOYSA-N
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