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Substance Name: 1-beta,2-alpha-Chrysenediol, 1,2,3,4-tetrahydro-3-alpha,4-alpha-epoxy-, (E)-(-)-
RN: 77123-23-0
InChIKey: KPTYXJLOWLVCMU-XDNAFOTISA-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-alpha,4-alpha-epoxide 2
  • (1R-(1alpha,2beta,2aalpha,3aalpha))-1,2,2a,3a-Tetrahydrochryseno(3,4-b)oxirene-1,2-diol
  • 5-17-05-00479 (Beilstein Handbook Reference)
  • BRN 4707048
  • syn-Chrysene-1,2-diol 3,4-oxide
  • trans-(-)-3-alpha,4-alpha-Epoxy-1,2,3,4-tetrahydro-1-beta,2-alpha-chrysenediol

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 77123-23-0

System Generated Number

  • 0077123230

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-XDNAFOTISA-N

Smiles

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