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Substance Name: 3-Methylcholanthrene-trans-7,8-dihydrodiol
RN: 68688-86-8
InChIKey: PLOSOTOGRJEVNA-GHTZIAJQSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C21-H18-O2

Molecular Weight

  • 302.371
 
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Names and Synonyms

Name of Substance

  • 3-Methylcholanthrene-trans-7,8-dihydrodiol

Synonyms

  • Benz(j)aceanthrylene-7,8-diol, 1,2,7,8-tetrahydro-3-methyl-, trans-
  • CCRIS 970
  • trans-1,2-Dihydro-3-methylcholanthrene-7,8-dihydrodiol
  • trans-3-Methyl-7,8-dihydrocholanthrene-7,8-diol
  • trans-7,8-Dihydro-7,8-dihydroxy-3-methylcholanthrene

Systematic Names

  • Benz(j)aceanthrylene-7,8-diol, 1,2,7,8-tetrahydro-3-methyl-, trans-
  • Cholanthrene-7,8-diol, 7,8-dihydro-3-methyl-, (E)-
  • trans-1,2,7,8-Tetrahydro-3-methylbenz(j)aceanthrylene-7,8-diol
  • trans-7,8-Dihydro-7,8-dihydroxy-3-methylcholanthrene

Registry Numbers

CAS Registry Number

  • 68688-86-8

System Generated Number

  • 0068688868

Structure Descriptors

InChI

1S/C21H18O2/c1-11-2-3-13-10-17-15(16-8-7-14(11)19(13)16)6-4-12-5-9-18(22)21(23)20(12)17/h2-6,9-10,18,21-23H,7-8H2,1H3/t18-,21+/m0/s1

InChIKey

PLOSOTOGRJEVNA-GHTZIAJQSA-N

Smiles

C1Cc2c(ccc3cc4c5[C@@H]([C@H](C=Cc5ccc4c1c23)O)O)C