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Substance Name: Cholan-24-oic acid, 3-hydroxy-6-oxo-, (3alpha,5beta)-
RN: 2393-61-5
InChIKey: JWZBXKZZDYMDCJ-IJPFKRJSSA-N

Molecular Formula

  • C24-H38-O4

Molecular Weight

  • 390.56
 
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Names and Synonyms

Synonym

  • (3alpha,5beta)-3-Hydroxy-6-oxocholan-24-oic acid

Systematic Name

  • Cholan-24-oic acid, 3-hydroxy-6-oxo-, (3alpha,5beta)-

Registry Numbers

CAS Registry Number

  • 2393-61-5

System Generated Number

  • 0002393615

Structure Descriptors

InChI

1S/C24H38O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-20,25H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20+,23-,24-/m1/s1

InChIKey

JWZBXKZZDYMDCJ-IJPFKRJSSA-N

Smiles

C1[C@H](C[C@H]2C(C[C@H]3[C@@H]4CC[C@@H]([C@@H](CCC(=O)O)C)[C@@]4(C)CC[C@H]3[C@@]2(C1)C)=O)O