(4As,12Br)-4A,8-Dihydroxy-3-Methyl-4A,5,6,12B-Tetrahydro-1,7,12(4H)-Tetraphenetrione

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Formula C19H16O5
IUPAC Name (4as,12br)-4a,8-dihydroxy-3-methyl-4,5,6,12b-tetrahydrobenzo[a]anthracene-1,7,12-trione
Molecular Mass 324.327 g·mol−1
Heat of Formation -648.9 ± 16.7 kJ·mol−1
Dipole Moment 2.43 ± 1.08 D
Volume 362.46 Å 3
Surface Area 308.34 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,12br)-4a,8-dihydroxy-3-methyl-4,5,6,12b-tetrahydrobenzo[c]anthracene-1,7,12-trione
  • antibiotic sf 2315a
  • benz(a)anthracene-1,7,12(4h)-trione, 4a,5,6,12b-tetrahydro-4a,8-dihydroxy-3-methyl-, cis-(+)-
  • cis-(+)-4a,5,6,12b-tetrahydro-4a,8-dihydroxy-3-methylbenz(a)anthracene-1,7,12(4h)-trione
  • sf 2315a
CAS Number(s)
  • 114687-52-4
InChIKey URTQKYFPDHWPGU-APWZRJJASA-N
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