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Substance Name: 3-Methylcholanthrene-cis-dihydrodiol
RN: 7390-95-6
InChIKey: VYBHBOMWVZUGOW-LEWJYISDSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C21-H18-O2

Molecular Weight

  • 302.371
 
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Names and Synonyms

Results Name

  • 3-Methylcholanthrene-cis-dihydrodiol

Synonyms

  • 3-Methylcholanthrene-cis-dihydrodiol
  • Benz(j)aceanthrylene-11,12-diol, 1,2,11,12-tetrahydro-3-methyl-, cis-
  • CCRIS 1126
  • Cholanthrene-11,12-diol, 11,12-dihydro-3-methyl-, (Z)-
  • cis-11,12-Dihydroxy-11,12-dihydro-3-methylcholanthrene
  • cis-3-Methylcholanthrene-11,12-dihydrodiol

Systematic Names

  • 11,12-Cholanthrenediol, 11,12-dihydro-3-methyl-, cis-
  • cis-3-Methylcholanthrene-11,12-dihydrodiol

Registry Numbers

CAS Registry Number

  • 7390-95-6

System Generated Number

  • 0007390956

Structure Descriptors

InChI

1S/C21H18O2/c1-11-6-7-12-10-17-14-4-2-3-5-15(14)20(22)21(23)19(17)16-9-8-13(11)18(12)16/h2-7,10,20-23H,8-9H2,1H3/t20-,21+/m0/s1

InChIKey

VYBHBOMWVZUGOW-LEWJYISDSA-N

Smiles

C1Cc2c(ccc3cc4c5ccccc5[C@@H]([C@@H](c4c1c23)O)O)C