Methyl cholate

• Formula: C₂₅H₄₂O₅
• Molecular weight: 422.5980
• IUPAC Standard InChI: InChI=1S/C25H42O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-21,23,26-28H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,20-,21+,23+,24+,25-/m0/s1 Copy

  
• IUPAC Standard InChIKey: DLYVTEULDNMQAR-XQXZXKLNSA-N Copy
• CAS Registry Number: 1448-36-8
• Chemical structure:
  This structure is also available as a 2d Mol file
• Stereoisomers:
  • Methyl-3beta,7beta,12beta-trihydroxy-5beta-cholan-24-oate
  • allo-Cholanic (5α) acid, methyl ester
• Other names: Cholan-24-oic acid, 3,7,12-trihydroxy-, methyl ester, (3α,5β,7α,12α)-; Methyl 3α,7α,12α-trihydroxy-5β-cholanate; Cholic acid, methyl ester; Methyl 3α,7α,12α-trihydroxy-5β-cholanoate; Methyl 3α,7α,12α-trihydroxy-5β-cholan-24-oate; Cholanic (5β) acid, methyl ester
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• Other data available:
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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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