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Substance Name: Cholestane, 3-chloro-5,6-(oxycarbonothioylthio)-, (3-beta,5-alpha,6-alpha)-
RN: 133586-86-4
InChIKey: IQDCFVGWNDARML-XJSUPXGWSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C28-H45-Cl-O-S2

Molecular Weight

  • 497.247
 
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Names and Synonyms

Synonyms

  • 3-beta-Chloro-5-alpha,6-alpha-(oxycarbonothioylthio)cholestane
  • 3-beta-Chloro-5-alpha-cholestano(6-alpha,5-d)',3'-oxathiolane-2'-thione
  • 3beta-Chloro-5alpha-chloestano(6alpha,5-d)',3'-oxathiolane-2'-thione
  • BRN 4272702
  • Cholestane, 3-chloro-5,6-(oxy(thioxomethylene)thio)-, (3-beta,5-alpha,6-alpha)-

Systematic Names

  • Cholestane, 3-chloro-5,6-(oxycarbonothioylthio)-, (3-beta,5-alpha,6-alpha)-
  • Cholestane, 3-chloro-5,6-(oxycarbonothioylthio)-, (3beta,5alpha,6alpha)-

Registry Numbers

CAS Registry Number

  • 133586-86-4

System Generated Number

  • 0133586864

Structure Descriptors

InChI

1S/C28H45ClOS2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-28(30-25(31)32-24)16-19(29)11-14-27(28,5)23(20)12-13-26(21,22)4/h17-24H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24+,26-,27-,28?/m1/s1

InChIKey

IQDCFVGWNDARML-XJSUPXGWSA-N

Smiles

C1[C@H](Cl)C[C@@]23OC(S[C@H]3C[C@@H]3[C@@H](CC[C@@]4(C)[C@H]3CC[C@@H]4[C@H](C)CCCC(C)C)[C@@]2(C)C1)=S