Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Cholestan-6-one, 3-bromo-, cyclic 1,2-ethanediyl mercaptole, S,S,S',S'-tetraoxide, (3-beta,5-alpha)-
RN: 133331-34-7
InChIKey: WGFRITFARSOQJG-WFRQTHGZSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C29-H49-Br-O4-S2

Molecular Weight

  • 605.738
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 3-beta-Bromo-6,6-ethylenedisulfonyl-5-alpha-cholestane
  • CCRIS 3896

Systematic Names

  • 3beta-Bromo-6,6-(ethylenedisulfonyl)-5alpha-cholestane
  • Cholestan-6-one, 3-bromo-, cyclic 1,2-ethanediyl mercaptole, S,S,S',S'-tetraoxide, (3-beta,5-alpha)-

Registry Numbers

CAS Registry Number

  • 133331-34-7

System Generated Number

  • 0133331347

Structure Descriptors

InChI

1S/C29H49BrO4S2/c1-19(2)7-6-8-20(3)23-9-10-24-22-18-29(35(31,32)15-16-36(29,33)34)26-17-21(30)11-13-28(26,5)25(22)12-14-27(23,24)4/h19-26H,6-18H2,1-5H3/t20-,21+,22+,23-,24+,25+,26+,27-,28-/m1/s1

InChIKey

WGFRITFARSOQJG-WFRQTHGZSA-N

Smiles

C1[C@@H](C[C@@H]2C3(C[C@H]4[C@@H]5CC[C@@H]([C@@H](CCCC(C)C)C)[C@@]5(C)CC[C@H]4[C@@]2(C1)C)S(=O)(=O)CCS3(=O)=O)Br