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Substance Name: 7alpha,12alpha-Dihydroxy-5-cholesten-3-one
RN: 1254-03-1
InChIKey: UQPYXHJTHPHOMM-NIBOIBLTSA-N

Note

  • Inermediate in bile acid biosynthesis.

Molecular Formula

  • C27-H44-O3

Molecular Weight

  • 416.6416
 
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Names and Synonyms

Name of Substance

  • 7alpha,12alpha-Dihydroxy-5-cholesten-3-one

Systematic Name

  • Cholest-4-en-3-one, 7,12-dihydroxy-, (7alpha,12alpha)-

Registry Numbers

CAS Registry Number

  • 1254-03-1

System Generated Number

  • 0001254031

Structure Descriptors

InChI

1S/C27H44O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h13,16-17,20-25,29-30H,6-12,14-15H2,1-5H3/t17-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1

InChIKey

UQPYXHJTHPHOMM-NIBOIBLTSA-N

Smiles

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34C)O)O)C