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C2525 Sigma-Aldrich

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

Synonym: 3α,12α-Dihydroxy-5β-cholan-24-oic acid methyl ester, Methyl 3α-acetoxy-12α-hydroxycholanate

  • CAS Number 27240-83-1

  • Empirical Formula (Hill Notation) C27H44O5

  • Molecular Weight 448.64

  •  MDL number MFCD00069484

  •  PubChem Substance ID 24892500

  •  NACRES NA.77

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Properties

Related Categories Bile acids and Derivatives, Bioactive Small Molecule Alphabetical Index, Bioactive Small Molecules, Biochemicals and Reagents, C-CH,
Quality Level   200
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

Packaging

500 mg in poly bottle

Safety & Documentation

Safety Information

Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

Documents

Certificate of Analysis (COA)

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