(7R,8S,8As,9Ar)-11-Methyl-7,8,8A,9A-Tetrahydrochryseno[3,4-B]Oxirene-7,8-Diol

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Formula C19H16O3
IUPAC Name (7r,8s,8as,9ar)-11-methyl-7,8,8a,9a-tetrahydrochryseno[3,4-b]oxirene-7,8-diol
Molecular Mass 292.329 g·mol−1
Heat of Formation -172.3 ± 16.7 kJ·mol−1
Dipole Moment 2.31 ± 1.08 D
Volume 334.54 Å 3
Surface Area 295.32 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • 1r,2s-dihydroxy-3s,4r-epoxy-1,2,3,4-tetrahydro-5-methylchrysene
  • 6-methylchrysene-1r,2s-diol-3s,4r-epoxide
  • chryseno(3,4-b)oxirene-1,2-diol, 1,2,2a,3a-tetrahydro-5-methyl-, (1r-(1-alpha,2-beta,2a-alpha,3a-alpha))-
  • chryseno(3,4-b)oxirene-1,2-diol, 1,2,2a,3a-tetrahydro-5-methyl-,(1r,2s,2as,3ar)-
CAS Number(s)
  • 111901-44-1
InChIKey PYPGXSRNRQKRQD-HCXYKTFWSA-N
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