1,7,9,11-Tetrahydroxy-13,13-Dimethyl-8-Oxo-3-Pentyl-8,13-Dihydrobenzo[A]Tetracene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C30H28O7
IUPAC Name 1,7,9,11-tetrahydroxy-13,13-dimethyl-8-oxo-3-pentyl-benzo[a]tetracene-2-carboxylic acid
Molecular Mass 500.539 g·mol−1
Heat of Formation -1165.8 ± 16.7 kJ·mol−1
Dipole Moment 3.87 ± 1.08 D
Volume 564.72 Å 3
Surface Area 474.32 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 1.92 ± eV
Point Group Symmetry C1
Synonyms
  • benastatin a
  • benzo(a)naphthacene-2-carboxylic acid, 8,13-dihydro-13,13-dimethyl-8-oxo-3-pentyl-1,7,9,11-tetrahydroxy-
CAS Number(s)
  • 138968-85-1
InChIKey LKGKHTANQJZVPR-UHFFFAOYSA-N
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