5β-Cholanic acid-3α,12α-diol 3-acetate methyl ester

• Catalog Number: ACM27240831
• Product Name: 5β-Cholanic acid-3α,12α-diol 3-acetate methyl ester
• CAS: 27240-83-1
• Category: Steroidal Compounds
• Synonyms: 3-acetyl methyldeoxycholate; Methyl 3alpha-acetoxy-12alpha-hydroxycholanate; 5beta-Cholanic acid-3alpha,12alpha-diol 3-acetate methyl ester; 3|A,12|A-Dihydroxy-5|A-cholan-24-oic acid methyl ester; methyl deoxycholate-3-acetate; 5|A-Cholanic acid-3|A,12|A-diol 3-acetate methyl ester; 3alpha,12alpha-Dihydroxy-5beta-cholan-24-oic acid methyl ester; Methyl 3|A-acetoxy-12|A-hydroxycholanate
• IUPAC Name: methyl(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3-acetyloxy-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
• Molecular Weight: 448.64
• Molecular Formula: C₂₇H₄₄O₅
• Canonical SMILES: CC(CCC(=O)OC)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)OC(=O)C)C)O)C
• InChI Key: FVYCOKNQUSFTBH-RFTNVYQZSA-N
• Boiling Point: 518.9ºC at 760 mmHg
• Flash Point: 161ºC
• Density: 1.1g/cm³
• Exact Mass: 448.31900
• WGK Germany: 3