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Substance Name: Coprostanone
RN: 15600-08-5
InChIKey: DYSGFYHFVLICKJ-UKJLNLROSA-N

Note

  • Bacterial metabolite of cholesterol via coprostanol.

Molecular Formula

  • C27-H46-O

Molecular Weight

  • 400.6862
 
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Names and Synonyms

Name of Substance

  • Coprostanone

Synonyms

  • 3-Oxocholestane
  • EINECS 239-682-1
  • NSC 179403

Systematic Names

  • 5-alpha-Cholestan-3-one
  • Cholestan-3-one (8CI)(9CI)

Registry Numbers

CAS Registry Number

  • 15600-08-5

System Generated Number

  • 0015600085

Structure Descriptors

InChI

1S/C28H48O/c1-19(2)8-7-9-20(3)27(5)16-14-25-23-11-10-21-18-22(29)12-15-26(21,4)24(23)13-17-28(25,27)6/h19-21,23-25H,7-18H2,1-6H3/t20-,21?,23-,24+,25+,26+,27-,28+/m1/s1

InChIKey

DYSGFYHFVLICKJ-UKJLNLROSA-N

Smiles

C[C@H](CCCC(C)C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CCC(=O)C4)C)C)C