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Substance Name: 3-Hydroxy-7,12-diketocholanoic acid
RN: 517-33-9
InChIKey: MAFJMPFLJJCSTB-FQBQTYDJSA-N

Molecular Formula

  • C24-H36-O5

Molecular Weight

  • 404.5434
 
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Names and Synonyms

Name of Substance

  • 3-Hydroxy-7,12-diketocholanoic acid

Synonym

  • 3alpha-Hydroxy-7,12-diketo-5beta-cholanoic acid

Systematic Name

  • Cholan-24-oic acid, 3-hydroxy-7,12-dioxo-, (3alpha,5beta)-

Registry Numbers

CAS Registry Number

  • 517-33-9

System Generated Number

  • 0000517339

Structure Descriptors

InChI

1S/C24H36O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-18,22,25H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,22+,23+,24-/m1/s1

InChIKey

MAFJMPFLJJCSTB-FQBQTYDJSA-N

Smiles

C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)C