12α-Deoxycholic Acid Methyl Ester 3α-Benzoate

CAS: 5969-28-8

Ref. TR-D232678

Product Information

• Name: 12α-Deoxycholic Acid Methyl Ester 3α-Benzoate
• Synonyms: (3α,5β,12α)-3-(Benzoyloxy)-12-hydroxy-cholan-24-oic Acid Methyl Ester
• Brand: TRC
• Description: Applications 12α-Deoxycholic Acid Methyl Ester 3α-Benzoate is an intermediate in the synthesis of 3α,12α-Dihydroxy-5β-chol-9(11)-enic Acid which is used in the analysis and in the structure determination of unsaturated 5β-cholanoic acids.References Kuksis, A., et al.: Lipids, 15, 770 (1980)

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=BZTYNSQSZHARAZ-WCGVKTIYSA-N
• SMILES: Cl[13c]1[13cH][13cH][13c](-[13c]2[13cH][13cH][13c](Cl)[13cH][13c]2Cl)[13cH][13cH]1