3α,6α,7α,12α-Tetrahydroxy-5β-cholanic acid, methyl ester, TMS

• Formula: C₃₇H₇₄O₆Si₄
• Molecular weight: 727.3219
• IUPAC Standard InChI: InChI=1S/C37H74O6Si4/c1-25(17-20-32(38)39-4)27-18-19-28-33-29(24-31(37(27,28)3)41-45(8,9)10)36(2)22-21-26(40-44(5,6)7)23-30(36)34(42-46(11,12)13)35(33)43-47(14,15)16/h25-31,33-35H,17-24H2,1-16H3/t25-,26-,27-,28+,29+,30+,31+,33+,34-,35+,36-,37-/m0/s1 Copy

  
• IUPAC Standard InChIKey: CAHBNWKLPVHQBG-VTIWEATNSA-N Copy
• Chemical structure:
  This structure is also available as a 2d Mol file
• Stereoisomers:
  • 3-α,6-α,7-α,12-α-Tetrahydroxy-5-β-cholanoic acid, MeTMS
  • 3α,6β,7α,12α-Tetrahydroxy-5β-cholanoic acid, trimethylsilyl ether-methyl ester
  • 3α,6β,7β,12α-Tetrahydroxy-5β-cholanoic acid, trimethylsilyl ether-methyl ester
  • 3α,6β,7β,12β-Tetrahydroxy-5β-cholanoic acid, methyl ester-trimethylsilyl ether
  • 3α,6α,7β,12α-Tetrahydroxy-5β-cholanoic acid, methyl ester-trimethylsilyl ether
  • 3α,6β,7α,12β-Tetrahydroxy-5β-cholanoic acid, MeTMS
  • 3-β,6-α,7-α,12-α-Tetrahydroxy-5-β-cholanoic acid, MeTMS
  • 5-α-Cholanoic acid, 3-α-6-α,7-α,12-α-tetrahydroxy, methyl ester, TMS
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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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