3-Hydroxy-7,12-diketocholanoic Acid

CAS: 517-33-9

Ref. TR-B443843

Product Information

• Name: 3-Hydroxy-7,12-diketocholanoic Acid
• Synonyms: 3alpha-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid, 3alpha-Hydroxy-7,12-dioxo-5beta-cholanic Acid, (3alpha,5beta)-3-Hydroxy-7,12-dioxocholan-24-oic Acid, 3alpha-Hydroxy-7,12-diketo-5beta-cholanic Acid, 3alpha-Hydroxy-7,12-diketo-5beta-cholanoic Acid, 3alpha-Hydroxy-7,12-diketocholanic Acid, 3alpha-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid, 3alpha-Hydroxy-7,12-dioxo-5beta-cholanoic Acid, 5beta-Cholanic acid-3alpha-ol-7,12-dione, 7,12-Diketo-3alpha-hydroxy-5beta-cholanic Acid, 7,12-Diketolithocholic Acid, 7,12-Dioxolithocholic Acid
• Brand: TRC
• Description: Applications 3-Hydroxy-7,12-diketocholanoic Acid is a bile acid salt as biosurfactants.References Posa, M., et al.: Steroids, 86, 16-25 (2014)

Chemical properties

• Molecular weight: 404.54
• Formula: C₂₄H₃₆O₅
• Color/Form: Neat
• InChI: InChI=1S/C24H36O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-18,22,25H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,22+,23+,24-/m1/s1
• InChI key: InChIKey=MAFJMPFLJJCSTB-FQBQTYDJSA-N
• SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C