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Substance Name: Cholan-24-oic acid, 3,6-dioxo-, (5beta)-
RN: 6868-73-1
InChIKey: AWINBLVINXVKTE-FSILYXOFSA-N

Molecular Formula

  • C24-H36-O4

Molecular Weight

  • 388.544
 
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Names and Synonyms

Synonym

  • (5beta)-3,6-Dioxocholan-24-oic acid

Systematic Name

  • Cholan-24-oic acid, 3,6-dioxo-, (5beta)-

Registry Numbers

CAS Registry Number

  • 6868-73-1

System Generated Number

  • 0006868731

Structure Descriptors

InChI

1S/C24H36O4/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/h14,16-20H,4-13H2,1-3H3,(H,27,28)/t14-,16+,17-,18+,19+,20+,23-,24-/m1/s1

InChIKey

AWINBLVINXVKTE-FSILYXOFSA-N

Smiles

C1([C@H]2[C@@](CCC(=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