C2525

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

• Synonym(s): 3α,12α-Dihydroxy-5β-cholan-24-oic acid methyl ester, Methyl 3α-acetoxy-12α-hydroxycholanate
• Empirical Formula (Hill Notation): C₂₇H₄₄O₅
• CAS Number: 27240-83-1
• Molecular Weight: 448.64
• NACRES: NA.77
• PubChem Substance ID: 24892500
• UNSPSC Code: 12352202
• MDL number: MFCD00069484

Properties

• form: solid
• SMILES string: [H]C12CCC3C4CCC([C@H](C)CCC(=O)OC)C4(C)[C@@H](O)CC3C1(C)CC[C@H](C2)OC(C)=O
• InChI: 1S/C27H44O5/c1-16(6-11-25(30)31-5)21-9-10-22-20-8-7-18-14-19(32-17(2)28)12-13-26(18,3)23(20)15-24(29)27(21,22)4/h16,18-24,29H,6-15H2,1-5H3/t16-,18?,19-,20?,21?,22?,23?,24+,26?,27?/m1/s1
• InChI key: FVYCOKNQUSFTBH-HJPVDDEFSA-N

Description

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type N95 (US)