1,7,9,11-Tetrahydroxy-13,13-Dimethyl-3-Pentyl-6,13-Dihydrobenzo[A]Tetracen-8(5H)-One

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Properties Simple | Detailed

Formula C27H14O5
IUPAC Name 1,7,9,11-tetrahydroxy-13,13-dimethyl-3-pentyl-5,6-dihydrobenzo[a]tetracen-8-one
Molecular Mass 418.397 g·mol−1
Heat of Formation 2689.8 ± 16.7 kJ·mol−1
Dipole Moment 8.53 ± 1.08 D
Volume 423.69 Å 3
Surface Area 359.54 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -2.53 ± eV
Point Group Symmetry C1
Synonyms
  • 6,13-dihydro-13,13-dimethyl-3-pentyl-1,7,9,11-tetrahydroxybenzo(a)naphthacen-8(5h)-one
  • benastatin d
  • benzo(a)naphthacen-8(5h)-one, 6,13-dihydro-13,13-dimethyl-3-pentyl-1,7,9,11-tetrahydroxy-
CAS Number(s)
  • 150151-89-6
InChIKey GLNSGIZGIVNPCR-UHFFFAOYSA-N
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