1,7,9,11-Tetrahydroxy-3-Pentylbenzo[A]Tetracene-8,13-Dione

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Properties Simple | Detailed

Formula C26H16O6
IUPAC Name 10-(2-hydroxyethynyl)-9-(oxomethylene)-3-penta-1,3-diynyl-2,3,4,7a,11a,12-hexahydrobenzo[a]anthracene-1,7,8,11-tetrone
Molecular Mass 424.402 g·mol−1
Heat of Formation 1924.0 ± 16.7 kJ·mol−1
Dipole Moment 7.81 ± 1.08 D
Volume 332.72 Å 3
Surface Area 291.0 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -2.70 ± eV
Point Group Symmetry C1
Synonyms
  • 3-pentyl-1,7,9,11-tetrahydroxybenzo(a)naphthacene-8,13-dione
  • 8,13-dihydro-1,7,9,11-tetrahydroxy-8,13-dioxo-3-pentylbenzo(a)naphthacene
  • benzo(a)naphthacene-8,13-dione, 1,7,9,11-tetrahydroxy-3-pentyl-
  • benzo(a)naphthacene-8,13-dione, 3-pentyl-1,7,9,11-tetrahydroxy-
  • bequinostatin d
CAS Number(s)
  • 152175-75-2
InChIKey KQPKOQPRDHCAAB-UHFFFAOYSA-N
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