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Substance Name: 1-beta,2-alpha-Chrysenediol, 1,2,3,4-tetrahydro-3-beta,4-beta-epoxy-, (Z)-(-)-
RN: 77123-24-1
InChIKey: KPTYXJLOWLVCMU-VSZNYVQBSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C18-H14-O3

Molecular Weight

  • 278.306
 
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Names and Synonyms

Synonyms

  • (-)-Chrysene-1-beta,2-alpha-diol-3-beta,4-beta-epoxide 1
  • 5-17-05-00479 (Beilstein Handbook Reference)
  • anti-Chrysene-1,2-diol 3,4-oxide
  • BRN 4707046
  • cis-(-)-3-beta,4-beta-Epoxy-1,2,3,4-tetrahydro-1-beta,2-alpha-chrysenediol

Systematic Name

  • 1-beta,2-alpha-Chrysenediol, 1,2,3,4-tetrahydro-3-beta,4-beta-epoxy-, (Z)-(-)-

Registry Numbers

CAS Registry Number

  • 77123-24-1

System Generated Number

  • 0077123241

Structure Descriptors

InChI

1S/C18H14O3/c19-15-13-8-7-11-10-4-2-1-3-9(10)5-6-12(11)14(13)17-18(21-17)16(15)20/h1-8,15-20H/t15-,16+,17+,18-/m1/s1

InChIKey

KPTYXJLOWLVCMU-VSZNYVQBSA-N

Smiles

c12[C@H]3[C@H]([C@@H](O)[C@@H](c2ccc2c1ccc1c2cccc1)O)O3