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Substance Name: Benz(a)anthracene-3-alpha,4-beta-diol, 1,2,3,4-tetrahydro-1-alpha, 2-alpha-epoxy-, (-)-
RN: 80433-81-4
InChIKey: JNQSJMYLVFOQBK-XWTMOSNGSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C18-H14-O3

Molecular Weight

  • 278.3056
 
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Names and Synonyms

Synonyms

  • (-)-(1S,2R,3R,4S)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene
  • 5-17-05-00478 (Beilstein Handbook Reference)
  • BRN 4707049

Systematic Name

  • Benz(a)anthracene-3-alpha,4-beta-diol, 1,2,3,4-tetrahydro-1-alpha, 2-alpha-epoxy-, (-)-

Registry Numbers

CAS Registry Number

  • 80433-81-4

System Generated Number

  • 0080433814

Structure Descriptors

InChI

1S/C18H14O3/c19-15-12-6-5-11-7-9-3-1-2-4-10(9)8-13(11)14(12)17-18(21-17)16(15)20/h1-8,15-20H/t15-,16+,17-,18+/m0/s1

InChIKey

JNQSJMYLVFOQBK-XWTMOSNGSA-N

Smiles

O[C@@H]1[C@@H](O)c2ccc3cc4ccccc4cc3c2[C@@H]5O[C@H]15