(1S,3S)-1-Hydroxy-8-Methoxy-3-Methyl-1,2,3,4-Tetrahydro-7,12-Tetraphenedione

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Formula C20H18O4
IUPAC Name (1s,3s)-1-hydroxy-8-methoxy-3-methyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-dione
Molecular Mass 322.355 g·mol−1
Heat of Formation -475.5 ± 16.7 kJ·mol−1
Dipole Moment 0.58 ± 1.08 D
Volume 369.3 Å 3
Surface Area 319.76 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy -1.46 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3s)-1-hydroxy-8-methoxy-3-methyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-dione
  • (1s,3s)-1-hydroxy-8-methoxy-3-methyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-quinone
  • benz(a)anthracene-7,12-dione, 1,2,3,4-tetrahydro-1-hydroxy-8-methoxy-3-methyl-, (1s-cis)-
  • rubiginone b1
CAS Number(s)
  • 130364-39-5
InChIKey GCPUVEMWOWMALU-HZMBPMFUSA-N
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