3,12-Diketo-5b-cholanoic Acid

  • CAT Number: C001146
  • CAS Number: 2958-05-6
  • Molecular Formula: C₂₄H₃₆O₄
  • Molecular Weight: 388.54
  • Purity: ≥95%
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3,12-Diketo-5β-cholanoic acid (Cat No.:C001146) is a synthetic bile acid derivative. It belongs to the class of bile acids, naturally occurring substances crucial for fat digestion. This compound is of interest in pharmaceutical research due to its potential therapeutic applications. If you need it, contact us and we will reply to you within 24 hours.

Catalog Number C001146
CAS Number 2958-05-6
Synonyms

3,12-Dioxodeoxycholic Acid; Dehydrodeoxycholic Acid; (5β)-3,12-Dioxocholan-24-oic Acid; 5b-CHOLANIC ACID-3,12-DIONE

Molecular Formula

C₂₄H₃₆O₄

Purity 95%
Solubility Chloroform (Slightly), Methanol (Slightly)
Storage 4°C, Inert atmosphere
IUPAC Name (4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
InChI InChI=1S/C24H36O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-15,17-20H,4-13H2,1-3H3,(H,27,28)/t14-,15-,17+,18-,19+,20+,23+,24-/m1/s1
InChIKey XNTYYYINMGRBQW-ZEZONBOOSA-N
SMILES CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2CCC4C3(CCC(=O)C4)C)C
Reference

Mihalj, P.: Steroids, 75, 424-431 (2010)

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