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Substance Name: Cholestan-3-ol, 5,6-(oxycarbonothioylthio)-, (3-beta,5-alpha,6-alpha)-
RN: 133586-84-2
InChIKey: PGXAFQKHVUAHMP-XJSUPXGWSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C28-H46-O2-S2

Molecular Weight

  • 478.801
 
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Names and Synonyms

Synonyms

  • 3-beta-Hydroxy-5-alpha-cholestano(6-alpha,5-d)',3'-oxathiolane-2'-thione
  • 3beta-Hydroxy-5alpha-chloestano(6alpha,5-d)',3'-oxathiolane-2'-thione
  • 5-alpha,6-alpha-(Oxycarbonothioylthio)cholestan-3-beta-ol
  • BRN 4272696

Systematic Names

  • Cholestan-3-ol, 5,6-(oxycarbonothioylthio)-, (3-beta,5-alpha,6-alpha)-
  • Cholestan-3-ol, 5,6-(oxycarbonothioylthio)-, (3beta,5alpha,6alpha)-

Registry Numbers

CAS Registry Number

  • 133586-84-2

System Generated Number

  • 0133586842

Structure Descriptors

InChI

1S/C28H46O2S2/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/h17-24,29H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24+,26-,27-,28?/m1/s1

InChIKey

PGXAFQKHVUAHMP-XJSUPXGWSA-N

Smiles

C1[C@H](O)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