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Substance Name: 5-Methylchrysene-1S,2R-diol-3R,4S-epoxide
RN: 111901-40-7
InChIKey: ZSDQORKDUNMTQA-ZSYWTGECSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C19-H16-O3

Molecular Weight

  • 292.332
 
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Names and Synonyms

Results Name

  • 5-Methylchrysene-1S,2R-diol-3R,4S-epoxide

Synonyms

  • (-)-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
  • CCRIS 1750

Systematic Names

  • 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-, (1S,2R,2aR,3aS)-

Registry Numbers

CAS Registry Number

  • 111901-40-7

System Generated Number

  • 0111901407

Structure Descriptors

InChI

1S/C19H16O3/c1-9-8-10-4-2-3-5-11(10)12-6-7-13-15(14(9)12)18-19(22-18)17(21)16(13)20/h2-8,16-21H,1H3/t16-,17+,18-,19+/m0/s1

InChIKey

ZSDQORKDUNMTQA-ZSYWTGECSA-N

Smiles

c1ccc2c(c3ccc4c(c3c(c2)C)[C@H]2[C@H]([C@@H]([C@H]4O)O)O2)c1