3-β,12-α-Dihydroxy-5-α-cholanoic acid, MeTMS

• Formula: C₃₁H₅₈O₄Si₂
• Molecular weight: 550.9608
• IUPAC Standard InChI: InChI=1S/C31H58O4Si2/c1-21(11-16-29(32)33-4)25-14-15-26-24-13-12-22-19-23(34-36(5,6)7)17-18-30(22,2)27(24)20-28(31(25,26)3)35-37(8,9)10/h21-28H,11-20H2,1-10H3/t21-,22+,23+,24?,25-,26?,27?,28+,30+,31-/m0/s1 Copy

  
• IUPAC Standard InChIKey: RDYDEBUPRPMEHW-WUXXXJJASA-N Copy
• Chemical structure:
  This structure is also available as a 2d Mol file
• Stereoisomers:
  • Methyl desoxycholate, 2TMS derivative
  • 3α,12β-Dihydroxy-5β-cholanoic acid, methyl ester-trimethylsilyl ether
  • 3-α,12-α-Dihydroxy-5-α-cholanoic acid, MeTMS
  • 3-β,12-α-Dihydroxy-5-β-cholanoic acid, MeTMS
  • 5-α-Cholanoic acid, 3-α-12-β-dihydroxy, methyl ester, TMS
  • allo-Cholanic acid, 3α,12α-dihydroxy, Me-TMS
  • allo-Cholanic acid, 3α,12β-dihydroxy, Me-TMS
  • allo-Cholanic acid, 3β,12α-dihydroxy, Me-TMS
  • allo-Cholanic acid, 3β,12β-dihydroxy, Me-TMS
  • Cholanic acid, 3α,12α-dihydroxy, Me-TMS
  • Cholanic acid, 3α,12β-dihydroxy, Me-TMS
  • Cholanic acid, 3β,12α-dihydroxy, Me-TMS
  • Cholanic acid, 3β,12β-dihydroxy, Me-TMS
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• Other data available:
  • Gas Chromatography
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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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