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Substance Name: 1-alpha,2-beta-Chrysenediol, 1,2,3,4-tetrahydro-3-alpha,4-alpha-epoxy-, (E)-(+)-
RN: 80433-80-3
InChIKey: KPTYXJLOWLVCMU-MLHJIOFPSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C18-H14-O3

Molecular Weight

  • 278.306
 
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Names and Synonyms

Synonyms

  • (+)-Chrysene-1-alpha,2-beta-diol-3-alpha,4-alpha-epoxide 1
  • 5-17-05-00479 (Beilstein Handbook Reference)
  • BRN 4707047
  • Chryseno(3,4-b)oxirene-1,2-diol, 1,2,2a,3a-tetrahydro-, (1S-(1-alpha,2-beta,2a-beta,3a-beta))-
  • trans-(+)-3-alpha,4-alpha-Epoxy-1,2,3,4-tetrahydro-1-alpha,2-beta-chrysenediol

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 80433-80-3

System Generated Number

  • 0080433803

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-/m0/s1

InChIKey

KPTYXJLOWLVCMU-MLHJIOFPSA-N

Smiles

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