(7S,8R,8Ar,9As)-5-Methyl-7,8,8A,9A-Tetrahydrochryseno[3,4-B]Oxirene-7,8-Diol

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Properties Simple | Detailed

Formula C19H16O3
IUPAC Name (7s,8r,8ar,9as)-5-methyl-7,8,8a,9a-tetrahydrochryseno[3,4-b]oxirene-7,8-diol
Molecular Mass 292.329 g·mol−1
Heat of Formation -152.3 ± 16.7 kJ·mol−1
Dipole Moment 3.33 ± 1.08 D
Volume 336.06 Å 3
Surface Area 294.75 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • 5-methylchrysene-7,8-diol-9,10-epoxide
  • 5-methylchrysene-7r,8s-diol-9s,10r-epoxide
  • 9,10-epoxy-7,8-dihydroxy-7,8,9,10-tetrahydro-5-methylchrysene
  • anti-(+-)-trans-7,8,9,10-tetrahydro-5-methylchrysene-7,8-diol-9,10-epoxide
  • chryseno(3,4-b)oxirene-1,2-diol, 1,2,2a,3a-tetrahydro-10-methyl-, (1alpha,2beta,2aalpha,3aalpha)-
  • chryseno(3,4-b)oxirene-1,2-diol, 1,2,2a,3a-tetrahydro-10-methyl-, (1s-(1alpha,2beta,2aalpha,3aalpha))-
CAS Number(s)
  • 96790-41-9
  • 81851-67-4
  • 111901-42-9
InChIKey LMQWCOZFQUNBGM-ZSYWTGECSA-N
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