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Substance Name: 3-Acetoxy-5-cholestano(6,5-d')-1',3'-oxathiolane-2'-thione
RN: 133586-85-3
InChIKey: YETQGIMUNOTFHL-VLTKQWQZSA-N

Note

  • Induces strand scission and nicks in DNA.

Classification Code

  • Mutation Data

Molecular Formula

  • C30-H48-O3-S2

Molecular Weight

  • 520.838
 
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Names and Synonyms

Name of Substance

  • 3-Acetoxy-5-cholestano(6,5-d')-1',3'-oxathiolane-2'-thione

Synonyms

  • (3beta,5alpha,6alpha)-5,6-(Oxycarbonothioylthio)-cholestan-3-ol acetate
  • 3-beta-Acetoxy-5-alpha-cholestano(6a,5d)-1',3'-oxathiolane-2-thione
  • 3beta-Acetoxy-5alpha-cholestano(6alpha,5-d)',3'-oxathiolane-2'-thione
  • 5-alpha,6-alpha-(Oxycarbonothioylthio)cholestan-3-beta-ol acetate
  • BRN 4277619

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 133586-85-3

System Generated Number

  • 0133586853

Structure Descriptors

InChI

1S/C30H48O3S2/c1-18(2)8-7-9-19(3)23-10-11-24-22-16-26-30(33-27(34)35-26)17-21(32-20(4)31)12-15-29(30,6)25(22)13-14-28(23,24)5/h18-19,21-26H,7-17H2,1-6H3/t19-,21+,22+,23-,24+,25+,26+,28-,29-,30?/m1/s1

InChIKey

YETQGIMUNOTFHL-VLTKQWQZSA-N

Smiles

S1C(O[C@@]23C[C@H](CC[C@@]2([C@@H]2[C@@H](C[C@H]13)[C@H]1[C@](C)(CC2)[C@@H]([C@H](C)CCCC(C)C)CC1)C)OC(C)=O)=S