12b-Deoxycholic Acid Methyl Ester 3a-Benzoate

Ref. TR-D232663

Product Information

• Name: 12b-Deoxycholic Acid Methyl Ester 3a-Benzoate
• Synonyms: (3R,5R,8R,9S,10S,12R,13R,14S,17R)-12-Hydroxy-17-((R)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl Benzoate
• Brand: TRC
• Description: Applications 12β-Deoxycholic Acid Methyl Ester 3α-Benzoate is an intermediate in the synthesis of 3α,12β-Dihydroxycholanoic Acid is a bile acid that may decrease of the toxic effects of deoxycholic acid on lipid peroxidn.References Hino, A., et. al.: J. Biochem., 129, 683 (2001)

Chemical properties

• Molecular weight: 510.7
• Formula: C₃₂H₄₆O₅
• Color/Form: Neat
• InChI: InChI=1S/C32H46O5/c1-20(10-15-29(34)36-4)25-13-14-26-24-12-11-22-18-23(37-30(35)21-8-6-5-7-9-21)16-17-31(22,2)27(24)19-28(33)32(25,26)3/h5-9,20,22-28,33H,10-19H2,1-4H3/t20-,22-,23-,24+,25-,26+,27+,28-,31+,32-/m1/s1
• InChI key: InChIKey=JBZWEGASEATIQN-UHFFFAOYSA-N
• SMILES: O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Na]