(7S,8S)-3-Methyl-1,2,7,8-Tetrahydrocyclopenta[Ij]Tetraphene-7,8-Diol

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Properties Simple | Detailed

Formula C21H18O2
IUPAC Name (7s,8s)-3-methyl-1,2,7,8-tetrahydrobenzo[j]aceanthrylene-7,8-diol
Molecular Mass 302.366 g·mol−1
Heat of Formation -115.5 ± 16.7 kJ·mol−1
Dipole Moment 4.20 ± 1.08 D
Volume 358.26 Å 3
Surface Area 312.24 Å 2
HOMO Energy -8.13 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry C1
Synonyms
  • 3-methylcholanthrene-trans-7,8-dihydrodiol
  • benz(j)aceanthrylene-7,8-diol, 1,2,7,8-tetrahydro-3-methyl-, trans-
  • cholanthrene-7,8-diol, 7,8-dihydro-3-methyl-, (e)-
  • trans-1,2,7,8-tetrahydro-3-methylbenz(j)aceanthrylene-7,8-diol
  • trans-1,2-dihydro-3-methylcholanthrene-7,8-dihydrodiol
  • trans-3-methyl-7,8-dihydrocholanthrene-7,8-diol
  • trans-7,8-dihydro-7,8-dihydroxy-3-methylcholanthrene
CAS Number(s)
  • 68688-86-8
InChIKey PLOSOTOGRJEVNA-GHTZIAJQSA-N
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