allo-Cholanic acid, 3α,7α,12α-trihydroxy, Me-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-AZROICAXSA-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
  • Methyl 3-β,7-α,12-α-trihydroxy-5-βcholanoate, TMS
  • 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,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: 3α,7α,12α-Trihydroxy-5α-cholanic acid, methyl ester, TMS
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• Information on this page:
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  • References
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Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Normal alkane RI, non-polar column, isothermal

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Normal alkane RI, non-polar column, custom temperature program

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Normal alkane RI, polar column, custom temperature program

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References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Lawson and Setchell, 1988
Lawson, A.M.; Setchell, K.D.R., Appendix of GC retention indices. List of retention indices foe methyl ester - trimethylsilyl (Me-TMS) ether derivatives of bile acids, The Bile Acids. Vol. 4, Methods and Applications, 1988, 4, 571-575. [all data]

Iida, Momose, et al., 1987
Iida, T.; Momose, T.; Tamura, T.; Matsumoto, T.; Goto, J.; Nambara, T.; Chang, F.C., Capillary gas chromatography of hydroxylated bile acid stereoisomers of the allo and normal series, J. Chromatogr., 1987, 389, 155-164, https://doi.org/10.1016/S0021-9673(01)94419-X . [all data]

Notes

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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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