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Substance Name: 6-Methylchrysene-1S,2R-diol-3R,4S-epoxide
RN: 111901-45-2
InChIKey: CZVSHTLWXHRACB-ZSYWTGECSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C19-H16-O3

Molecular Weight

  • 292.332
 
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Names and Synonyms

Results Name

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

Synonyms

  • 1S,2R-Dihydroxy-3R,4S-epoxy-1,2,3,4-tetrahydro-5-methylchrysene
  • CCRIS 1753

Systematic Names

  • 6-Methylchrysene-1S,2R-diol-3R,4S-epoxide
  • Chryseno(3,4-b)oxirene-1,2-diol, 1,2,2a,3a-tetrahydro-5-methyl-, (1S-(1-alpha,2-beta,2a-alpha,3a-alpha))-

Registry Numbers

CAS Registry Number

  • 111901-45-2

System Generated Number

  • 0111901452

Structure Descriptors

InChI

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

InChIKey

CZVSHTLWXHRACB-ZSYWTGECSA-N

Smiles

c12[C@@H]([C@H]([C@H]3[C@H](c2ccc2c4ccccc4cc(c12)C)O3)O)O