(7S,8R,8Ar,9As)-10-Methyl-7,8,8A,9A-Tetrahydrochryseno[3,4-B]Oxirene-7,8-Diol

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Formula C19H16O3
IUPAC Name (7s,8r,8ar,9as)-10-methyl-7,8,8a,9a-tetrahydrochryseno[3,4-b]oxirene-7,8-diol
Molecular Mass 292.329 g·mol−1
Heat of Formation -159.0 ± 16.7 kJ·mol−1
Dipole Moment 3.00 ± 1.08 D
Volume 332.59 Å 3
Surface Area 291.52 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • (+-)-trans-1,2-dihydroxy-syn-3,4-epoxy-1,2,3,4-tetrahydro-5-methylchrysene
  • (+/-)-anti-1,2-dihydroxy-3,4-epoxy-1,2,3,4-tetrahydro-5-methylchrysene
  • (+/-)-anti-5-methylchrysene-1,2-dihydrodiol-3,4-epoxide
  • (-)-anti-1(s),2(4)-dihydroxy-3(r),4(s)-epoxy-1,2,3,4-tetrahydro-5-methylchrysene
  • 5-methylchrysene-1s,2r-diol-3r,4s-epoxide
  • chrysene-1,2-diol, 1,2,3,4-tetrahydro-3,4-epoxy-5-methyl-, (1s-(1-alpha,2-beta,3-beta,4-beta))-
  • chryseno(3,4-b)oxirene-1,2-diol, 1,2,2a,3a-tetrahydro-4-methyl-, (1-alpha,2-beta,2a-alpha,3a-alpha)-(+-)-
  • chryseno(3,4-b)oxirene-1,2-diol, 1,2,2a,3a-tetrahydro-4-methyl-, (1s,2r,2ar,3as)-
CAS Number(s)
  • 111901-40-7
  • 96790-39-5
InChIKey ZSDQORKDUNMTQA-ZSYWTGECSA-N
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