Methyl 3-β,7-α,12-α-trihydroxy-5-βcholanoate, TMS

• Formula: C₃₄H₆₆O₅Si₃
• Molecular weight: 639.1413
• IUPAC Standard InChI: InChI=1S/C34H66O5Si3/c1-23(14-17-31(35)36-4)26-15-16-27-32-28(22-30(34(26,27)3)39-42(11,12)13)33(2)19-18-25(37-40(5,6)7)20-24(33)21-29(32)38-41(8,9)10/h23-30,32H,14-22H2,1-13H3/t23-,24+,25+,26-,27?,28?,29-,30+,32?,33+,34-/m0/s1 Copy

  
• IUPAC Standard InChIKey: DQKFOBXAKZGIPX-XXOUCPERSA-N Copy
• Chemical structure:
  This structure is also available as a 2d Mol file
• Stereoisomers:
  • Methyl cholate, 3TMS derivative
  • 3α,7α,12β-Trihydroxy-5β-cholanoic acid, methyl ester-trimethylsilyl ether
  • 3α,7β,12β-Trihydroxy-5β-cholanoic acid, methyl ester-trimethylsilyl ether
  • 3α,7β,12α-Trihydroxy-5β-cholanoic acid, MeTMS
  • 3α,7β,12α-Trihydroxy-5β-cholanoic acid, methyl ester-trimethylsilyl ether
  • 3α,12α-Dihydroxy-5β-cholanoic acid, methyl ester-trimethylsilyl ether
  • 5α-cholanoate,3α,7α,12α-trihydroxy, methyl ester-trimethylsilyl ether
  • 5β-cholanoate,3α,7α,12α-trihydroxy, methyl ester-trimethylsilyl ether
  • allo-Cholanic acid, 3α,7α,12α-trihydroxy, Me-TMS
  • allo-Cholanic acid, 3α,7α,12β-trihydroxy, Me-TMS
  • allo-Cholanic acid, 3α,7β,12α-trihydroxy, Me-TMS
  • allo-Cholanic acid, 3α,7β,12β-trihydroxy, Me-TMS
  • allo-Cholanic acid, 3β,7α,12α-trihydroxy, Me-TMS
  • allo-Cholanic acid, 3β,7α,12β-trihydroxy, Me-TMS
  • allo-Cholanic acid, 3β,7β,12α-trihydroxy, Me-TMS
  • allo-Cholanic acid, 3β,7β,12β-trihydroxy, Me-TMS
  • Cholanic acid, 3α,7α,12α-trihydroxy, Me-TMS
  • Cholanic acid, 3α,7α,12β-trihydroxy, Me-TMS
  • Cholanic acid, 3α,7β,12α-trihydroxy, Me-TMS
  • Cholanic acid, 3α,7β,12β-trihydroxy, Me-TMS
  • Cholanic acid, 3β,7α,12α-trihydroxy, Me-TMS
  • Cholanic acid, 3β,7α,12β-trihydroxy, Me-TMS
  • Cholanic acid, 3β,7β,12α-trihydroxy, Me-TMS
  • Cholanic acid, 3β,7β,12β-trihydroxy, Me-TMS
• Other names: 3-β,7-α,12-α-Trihydroxy-5-β-cholanoic acid, MeTMS; 5-β-Cholanoic acid, 3-β-7-α,12-α-trihydroxy, methyl ester, TMS
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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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