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Substance Name: Cholestan-6-one, 3-bromo-, cyclic 1,2-ethanediyl mercaptole, S,S,S'-trioxide, (3-beta,5-alpha,6-alpha)-
RN: 133352-57-5
InChIKey: GLFHCVPEEMDQIP-SIRAVDNYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C29-H49-Br-O3-S2

Molecular Weight

  • 589.7391
 
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Names and Synonyms

Synonym

  • 3-beta-Bromo-6,6-ethylene-alpha-sulfonyl-beta-sulfinyl-5-alpha-cholestane

Systematic Name

  • Cholestan-6-one, 3-bromo-, cyclic 1,2-ethanediyl mercaptole, S,S,S'-trioxide, (3-beta,5-alpha,6-alpha)-

Registry Numbers

CAS Registry Number

  • 133352-57-5

System Generated Number

  • 0133352575

Structure Descriptors

InChI

1S/C29H49BrO3S2/c1-19(2)7-6-8-20(3)23-9-10-24-22-18-29(34(31)15-16-35(29,32)33)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?,34?/m1/s1

InChIKey

GLFHCVPEEMDQIP-SIRAVDNYSA-N

Smiles

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC4([C@@H]5[C@@]3(CC[C@@H](C5)Br)C)S(=O)CCS4(=O)=O)C