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Substance Name: 3,7-Dioxo-5beta-cholanoic acid
RN: 859-97-2
InChIKey: IOOKJGQHLHXYEF-FFFIEFPASA-N

Molecular Weight

  • 388.544
 
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Names and Synonyms

Synonym

  • CCRIS 3988

Systematic Name

  • 3,7-Dioxo-5beta-cholanoic acid

Registry Numbers

CAS Registry Number

  • 859-97-2

System Generated Number

  • 0000859972

Structure Descriptors

InChI

1S/C24H36O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-15,17-19,22H,4-13H2,1-3H3,(H,27,28)/t14-,15+,17-,18+,19+,22+,23+,24-/m1/s1

InChIKey

IOOKJGQHLHXYEF-FFFIEFPASA-N

Smiles

C1([C@@H]2[C@@H]([C@@]3([C@H](CC(CC3)=O)C1)C)CC[C@@]1([C@H](CC[C@@H]21)[C@@H](CCC(=O)O)C)C)=O