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Substance Name: Cholestane 5,6-(oxycarbonothioylthio)-, (5-alpha,6-alpha)-
RN: 133586-83-1
InChIKey: BPGOZRSHZWHNIV-PKAQPMNOSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C28-H46-O-S2

Molecular Weight

  • 462.802
 
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Names and Synonyms

Synonyms

  • 5-alpha-Cholestano-(6-alpha,5-d)-1'3'-oxathiolane-2'-thione
  • 5alpha-Cholestano(6alpha,5-d)-1',3'-oxathiolane-2'-thione
  • BRN 4270942
  • Cholestane, 5-alpha,6-alpha-(oxycarbonothioylthio)-

Systematic Name

  • Cholestane 5,6-(oxycarbonothioylthio)-, (5-alpha,6-alpha)-

Registry Numbers

CAS Registry Number

  • 133586-83-1

System Generated Number

  • 0133586831

Structure Descriptors

InChI

1S/C28H46OS2/c1-18(2)9-8-10-19(3)21-11-12-22-20-17-24-28(29-25(30)31-24)15-7-6-14-27(28,5)23(20)13-16-26(21,22)4/h18-24H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24+,26-,27-,28?/m1/s1

InChIKey

BPGOZRSHZWHNIV-PKAQPMNOSA-N

Smiles

C1CC[C@@]23OC(S[C@H]3C[C@@H]3[C@@H](CC[C@@]4([C@H](CC[C@@H]34)[C@@H](CCCC(C)C)C)C)[C@@]2(C1)C)=S