5b-Cholanic Acid-3a,6b-diol

CAS: 668-49-5

Ref. TR-C431438

Product Information

• Name: 5b-Cholanic Acid-3a,6b-diol
• Synonyms: 3alpha,6beta-Dihydroxy-5beta-cholan-24-oic Acid, 3alpha,6beta-Dihydroxy-5beta-cholanic Acid, (3alpha,5beta,6beta)-3,6-Dihydroxycholan-24-oic Acid, 3alpha,6beta-Dihydroxy-5beta-cholan-24-oic Acid, 3alpha,6beta-Dihydroxy-5beta-cholanoic Acid, 3alpha,6beta-Dihydroxycholanoic Acid, 6beta-Hydroxylithocholic Acid, Murideoxycholic Acid, Murocholic Acid, NSC 18166, 3alpha,6beta-Dihydroxy-5beta-cholanic Acid
• Brand: TRC
• Description: Applications 5β-Cholanic Acid-3α, 6β-Diol is a cholesterol derivative; Plasma lipophilic biomarkers in rats. Also, it is one of two major metabolites from the hydroxylation of hepatic lithocholic acid catalyzed by Cyp3a/Cyp3a11 enzymes in mice.References Mayengbam, S., et al.: Eur. J. Nutr., 55, 1213-1223 (2016); Hrycay, E., et al.: Mol. Cell. Biochem., 389, 119-132 (2014)

Chemical properties

• Molecular weight: 392.58
• Formula: C₂₄H₄₀O₄
• Color/Form: White To Off-White
• InChI: InChI=1S/C24H40O4/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/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20+,21-,23-,24-/m1/s1
• InChI key: InChIKey=DGABKXLVXPYZII-PLYQRAMGSA-N
• SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C