5-b-Cholanic Acid-3a-ol-6-one

  • CAT Number: C001098
  • CAS Number: 2393-61-5
  • Molecular Formula: C₂₄H₃₈O₄
  • Molecular Weight: 390.56
  • Purity: ≥95%
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5-beta-Cholanic Acid-3-alpha-ol-6-one (Cat No.:C001098) is a steroidal compound derived from cholic acid. It contains a hydroxyl group at position 3 and a ketone group at position 6 of the cholanic acid backbone. This compound may have potential applications in pharmaceutical research and as a starting material for the synthesis of other steroidal compounds. If you need it, and you can contact us, we will reply to you within 24 hours.

Catalog Number C001098
CAS Number 2393-61-5
Synonyms

3α-Hydroxy-6-oxo-5β-Cholan-24-oic Acid; (3α,5β)-3-Hydroxy-6-oxocholan-24-oic Acid; 5β-Cholanic acid-3α-ol-6-one; 6-Ketolithocholic Acid; 6-Oxolithocholic Acid

Molecular Formula

C₂₄H₃₈O₄

Purity 95%
Solubility Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Storage 4°C
IUPAC Name (4R)-4-[(3R,5R,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
InChI 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 CC(CCC(=O)O)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(C4)O)C)C
Reference

Abadie, C., et al.: Biochem. J., 299, 725 (1994), Taniguchi, T., et al.: J. Biol. Chem., 269, 10071 (1994), Davis, R., et al.: J. Lipid Res., 43, 533 (2002)

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