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Substance Name: Cholestan-6-one, 3-chloro-, cyclic 1,2-ethanediyl mercaptole, S-oxide, (3-beta,5-alpha,6-alpha)-
RN: 133331-35-8
InChIKey: FZSUDEVBYNBGFN-LVFTYFEDSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C29-H49-Cl-O-S2

Molecular Weight

  • 513.2901
 
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Names and Synonyms

Synonym

  • 3-beta-Chloro-6,6-ethylene-alpha-sulfinyl-beta-thio-5-alpha-cholestane

Systematic Name

  • Cholestan-6-one, 3-chloro-, cyclic 1,2-ethanediyl mercaptole, S-oxide, (3-beta,5-alpha,6-alpha)-

Registry Numbers

CAS Registry Number

  • 133331-35-8

System Generated Number

  • 0133331358

Structure Descriptors

InChI

InChI=1S/C29H49ClOS2/c1-19(2)7-6-8-20(3)23-9-10-24-22-18-29(32-15-16-33(29)31)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-,29?,33?/m1/s1

InChIKey

FZSUDEVBYNBGFN-LVFTYFEDSA-N

Smiles

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC4(SCCS4=O)[C@H]5C[C@@H](Cl)CC[C@]5(C)[C@H]3CC[C@]12C