949022-94-0

Basic information

• Product Name: methyl 3α,12α-diacetoxy-7α-(3'-iodobenzoyl)oxy-5β-cholan-24-oate
• CAS NO: 949022-94-0
• Molecular Weight: 736.685
• Mol File: 949022-94-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: methyl 3α,12α-diacetoxy-7α-(3'-iodobenzoyl)oxy-5β-cholan-24-oate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl 3α,12α-diacetoxy-7α-(3'-iodobenzoyl)oxy-5β-cholan-24-oate(949022-94-0)
• EPA Substance Registry System: methyl 3α,12α-diacetoxy-7α-(3'-iodobenzoyl)oxy-5β-cholan-24-oate(949022-94-0)

Safety Data

• Hazardous Substances Data: 949022-94-0(Hazardous Substances Data)

Upstream product

• 1711-10-0 3-iodobenzoyl chloride 
• 58822-33-6 methyl 3α,12α-diacetyloxy-7α-hydroxy-5β-cholan-24-oate 
• 81-25-4 cholic acid 
• 1448-36-8 methyl cholate 
• 618-51-9 3-Iodobenzoic acid 

Downstream Products

• 949022-95-1 C₃₆H₄₈ClIO₈ 
• 949022-96-2 methyl 3α,12α-diacetoxy-7α-(3'-iodobenzoyl)oxy-5β-chol-16-en-24-oate 

Relevant articles and documents

First chemical synthesis, aggregation behavior and cholesterol solubilization properties of pythocholic acid and 16α-hydroxycholic acid

The first chemical synthesis of pythocholic acid, a major component of python's bile, and 3α,7α,12α,16α-tetrahydroxy-5β- cholan-24-oic acid (16α-hydroxycholic acid), a minor component in Shoebill stork's bile, was achieved starting from readily available cholic acid in overall yields of 5% and 5.5%, respectively, through a common intermediate. A biomimetic template-directed remote functionalization strategy was utilized to selectively functionalize C-16 of the steroid skeleton. This synthesis involves a series of regio and chemoselective transformations. Pythocholic acid showed unusually low critical micellar concentration (CMC) with high cholesterol solubilization ability. Wiley-VCH Verlag GmbH & Co. KGaA, 2007.