(7R,8S,8As,9Ar)-7,8,8A,9A-Tetrahydrobenzo[1,12]Tetrapheno[10,11-B]Oxirene-7,8-Diol

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Formula C20H14O3
IUPAC Name (7r,8s,8as,9ar)-7,8,8a,9a-tetrahydrobenzo[1,12]tetrapheno[10,11-b]oxirene-7,8-diol
Molecular Mass 302.323 g·mol−1
Heat of Formation -134.2 ± 16.7 kJ·mol−1
Dipole Moment 1.64 ± 1.08 D
Volume 333.17 Å 3
Surface Area 291.13 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-7alpha,8beta-dihydroxy-9alpha,10alpha-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene
  • (+)-7r,8s-dihydroxy-9s,10r-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene
  • (+)-anti-7,8-dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene
  • (+)-anti-bpde
  • (+)-benzo(a)pyrene-7,8-diol-9,10-epoxide- (anti)
  • (+)-bp-7-beta,8-alpha-diol-9-alpha,10-alpha-epoxide 2
  • (+)-bpde
  • (+)-trans-7-beta,8-alpha-dihydroxy-9-alpha,10-alpha-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene
  • benzo(a)pyrene, 7,8,9,10-tetrahydro-7-alpha,8-beta-dihydroxy-9-beta,10-beta-epoxy-, (+)-e-
  • benzo(a)pyrene, 7,8,9,10-tetrahydro-7-beta,8-alpha-dihydroxy-9-alpha,10-alpha-ep
  • benzo(a)pyrene, 7,8,9,10-tetrahydro-7-beta,8-alpha-dihydroxy-9-alpha,10-alpha-epoxy-, (+)-e-
  • benzo(a)pyrene-7,8-diol-9,10-epoxide, 7r-anti
CAS Number(s)
  • 63323-31-9
  • 91327-01-4
InChIKey DQEPMTIXHXSFOR-WCIQWLHISA-N
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