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

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Formula C18H14O4
IUPAC Name (7r,8s,8ar,9as)-7,8,8a,9a-tetrahydrochryseno[3,4-b]oxirene-3,7,8-triol
Molecular Mass 294.301 g·mol−1
Heat of Formation -364.7 ± 16.7 kJ·mol−1
Dipole Moment 2.48 ± 1.08 D
Volume 320.65 Å 3
Surface Area 286.93 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-1,2,2a,3a-tetrahydrochryseno(3,4-b)oxirene-1,2,8-triol
  • 1-alpha,2-beta,2a-beta,3a-beta-tetrahydrochryseno(3,4-b)oxirene-1,2,8-triol
  • 9-hydroxy-t-1,t-2-dihydroxy-t-3,4-oxy-1,2,3,4-tetrahydrochrysene
  • 9-hydroxychrysene-1,2-diol-3,4-oxide
  • anti-9-hydroxychrysenediol 3,4-oxide
  • anti-chrysenetriol epoxide
  • chryseno(3,4-b)oxirene-1,2,8-triol, 1,2,2a,3a-tetrahydro-, (1-alpha,2-beta,2a-beta,3a-beta)-
  • syn-9-hydroxychrysene-1,2-diol-3,4-epoxide
CAS Number(s)
  • 104975-31-7
InChIKey PAPRUUIWEKWIAZ-VSZNYVQBSA-N
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