(1As,2S,3R,13Cr)-1A,2,3,13C-Tetrahydrobenzo[8,9]Tetrapheno[1,2-B]Oxirene-2,3-Diol

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Formula C22H16O3
IUPAC Name (1as,2s,3r,13cr)-1a,2,3,13c-tetrahydrobenzo[8,9]tetrapheno[1,2-b]oxirene-2,3-diol
Molecular Mass 328.361 g·mol−1
Heat of Formation -90.0 ± 16.7 kJ·mol−1
Dipole Moment 1.52 ± 1.08 D
Volume 367.46 Å 3
Surface Area 324.38 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry C1
Synonyms
  • (1aalpha,2beta,3alpha,13calpha)-1a,2,3,13c-tetrahydro-naphtho(2',1':6,7)phenanthro(3,4-b)oxirene-2,3-diol
  • anti-3,4-dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrodibenz(a,h)anthracene
  • anti-dibenz(a,h)anthracene-3,4-dihydrodiol-1,2-oxide
  • db(a,h)a-3,4-diol 1,2-oxide
  • dba 3,4-diol 1,2-oxide
  • dbade
  • dibenz(a,h)anthracene-3,4-diol 1,2-oxide
  • dibenz(a,h)anthracene-3,4-diol-1,2-epoxide
  • naphtho(2',1':6,7)phenanthro(3,4-b)oxirene-2,3-diol, 1a,2,3,13c-tetrahydro-, (1aalpha,2beta,3alpha,13calpha)-
CAS Number(s)
  • 70951-81-4
InChIKey LRZSCFUXPBRQLT-MBDNFAEBSA-N
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