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Substance Name: 3alpha-Hydroxy-6-oxo-5alpha-cholan-24-oic acid
RN: 10573-17-8
InChIKey: JWZBXKZZDYMDCJ-NYGMMZBPSA-N

Molecular Formula

  • C24-H38-O4

Molecular Weight

  • 390.56
 
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Names and Synonyms

Synonym

  • EINECS 234-159-4

Systematic Name

  • 3alpha-Hydroxy-6-oxo-5alpha-cholan-24-oic acid

Registry Numbers

CAS Registry Number

  • 10573-17-8

System Generated Number

  • 0010573178

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-NYGMMZBPSA-N

Smiles

C1([C@@H]2[C@@](CC[C@H](O)C2)(C)[C@H]2CC[C@@]3([C@@H]([C@@H](CCC(=O)O)C)CC[C@@H]3[C@H]2C1)C)=O