Isochenodeoxycholic Acid

CAS: 566-24-5

Ref. TR-I789600

Product Information

• Name: Isochenodeoxycholic Acid
• Synonyms: (3ß,5ß,7a)-3,7-Dihydroxycholan-24-oic Acid, 3ß,7a-Dihydroxy-5ß-cholan-24-oic Acid, 3ß,7a-Dihydroxy-5ß-cholanic Acid, 3ß,7a-Dihydroxy-5ß-cholanoic Acid, 3ß-Chenodeoxycholic Acid, BAR601, (3β,5β,7α)-3,7-Dihydroxycholan-24-oic acid, 3B,7A-Dihydroxy-5B-Cholan-24-Oic Acid, 3β,7α-Dihydroxy-5β-cholanic acid, 3β,7α-Dihydroxy-5β-cholanoic acid, 3β-Chenodeoxycholic acid, 5β-Cholan-24-oic acid, 3β,7α-dihydroxy-, 5β-Cholanic acid, 3β,7α-dihydroxy-, Bar601, Cholan-24-oic acid, 3,7-dihydroxy-, (3beta,5beta,7alpha)-, Cholan-24-oic acid, 3,7-dihydroxy-, (3β,5β,7α)-, Isochenodeoxycholic acid

Description

Applications Isochenodeoxycholic Acid is an epimer of common bile acid Chenodeoxycholic Acid (C291900), present in many vertebrates, occurring as the N-glycine and/or N-taurine conjugate.
References Danzinger, et al.: N. Engl. J. Med., 286, 1 (1972), Iser, J.H., et al.: Drugs, 21, 90 (1981), Tint, G.S., et al.: Gastroenterology, 91, 1007 (1986),

• Brand: TRC

Chemical properties

• Molecular weight: 392.57
• Formula: C₂₄H₄₀O₄
• Color/Form: White To Off-White
• InChI: InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16+,17-,18+,19+,20-,22+,23+,24-/m1/s1
• InChI key: InChIKey=RUDATBOHQWOJDD-JGFDLHJZSA-N
• SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@H]1C[C@H]3O