(7R,8S,8As,9Ar)-7,8,8A,9A-Tetrahydrochryseno[3,4-B]Oxirene-7,8-Diol

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Properties Simple | Detailed

Formula C18H14O3
IUPAC Name (7r,8s,8as,9ar)-7,8,8a,9a-tetrahydrochryseno[3,4-b]oxirene-7,8-diol
Molecular Mass 278.302 g·mol−1
Heat of Formation -135.1 ± 16.7 kJ·mol−1
Dipole Moment 3.05 ± 1.08 D
Volume 313.72 Å 3
Surface Area 279.56 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • (+-)-1-beta,2-alpha-dihydroxy-3-alpha,4-alpha-epoxy-1,2,3,4-tetrahydrochrysene
  • (-)-chrysene-1-beta,2-alpha-diol-3-alpha,4-alpha-epoxide 2
  • (1alpha,2beta,2aalpha,3aalpha)-1,2,2a,3a-tetrahydrochryseno(3,4-b)oxirene-1,2-diol
  • (1r-(1alpha,2beta,2aalpha,3aalpha))-1,2,2a,3a-tetrahydrochryseno(3,4-b)oxirene-1,2-diol
  • (z)-1,2,2a,3a-tetrahydrochryseno(3,4-b)oxirene-1,2-diol
  • 1-alpha,2-beta,2a-alpha,3a-alpha-1,2,2a,3a-tetrahydrochryseno(3,4-b)oxirene-1,2-diol
  • 1-alpha,2-beta,2a-alpha,3a-alpha-tetrahydrochryseno(3,4-b)oxirene-1,2-diol
  • 1-beta,2-alpha-chrysenediol, 1,2,3,4-tetrahydro-3-alpha,4-alpha-epoxy-, (+-)-
  • 1-beta,2-alpha-chrysenediol, 1,2,3,4-tetrahydro-3-alpha,4-alpha-epoxy-, (e)-(-)-
  • anti-(+-)-chrysene-trans-1,2-dihydrodiol-3,4-epoxide
  • anti-1,2,3,4-tetrahydrochrysene-1,2-diol-3,4-epoxide
  • anti-chrysene-1,2-diol-3,4-epoxide
  • chrysenediol, 3,4-epoxy-1,2,3,4-tetrahydro-, (+)-(e)-
  • chryseno(3,4-b)oxirene-1,2-diol, 1,2,2a,3a-tetrahydro-, (1-alpha,2-beta,2a-alpha,3a-alpha)-
  • chryseno(3,4-b)oxirene-1,2-diol, 1,2,2a,3a-tetrahydro-, (1r,2s,2as,3ar)-rel-
  • r-1,t-2-dihydroxy-c-3,4-oxy-1,2,3,4-tetrahydrochrysene
  • syn-chrysene-1,2-diol 3,4-oxide
  • trans-(-)-3-alpha,4-alpha-epoxy-1,2,3,4-tetrahydro-1-beta,2-alpha-chrysenediol
  • trans-1,2-dihydroxy-anti-3,4-epoxy-1,2,3,4-tetrahydrochrysene
CAS Number(s)
  • 77123-23-0
  • 64938-66-5
  • 72074-67-0
InChIKey KPTYXJLOWLVCMU-XDNAFOTISA-N
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