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Substance Name: 6-Ketocholestanol
RN: 1175-06-0
UNII: 2V12D4A742
InChIKey: JQMQKOQOLPGBBE-ZNCJEFCDSA-N

Molecular Formula

  • C27-H46-O2

Molecular Weight

  • 402.658
 
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Names and Synonyms

Name of Substance

  • 6-Ketocholestanol

Synonyms

  • 6-Ketocholestanol
  • EINECS 214-640-5
  • NSC 178278
  • UNII-2V12D4A742

Systematic Names

  • 5alpha-Cholestan-6-one, 3beta-hydroxy- (8CI)
  • 6-Oxocholestanol
  • Cholestan-6-one, 3-hydroxy-, (3beta,5alpha)- (9CI)

Registry Numbers

CAS Registry Number

  • 1175-06-0

FDA UNII

  • 2V12D4A742

System Generated Number

  • 0001175060

Structure Descriptors

InChI

1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,26-,27-/m1/s1

InChIKey

JQMQKOQOLPGBBE-ZNCJEFCDSA-N

Smiles

C1([C@@H]2[C@@](CC[C@@H](O)C2)(C)[C@H]2CC[C@@]3([C@@H]([C@@H](CCCC(C)C)C)CC[C@@H]3[C@H]2C1)C)=O