3α,7α,12α-trihydroxy-5β-C27-bile acid, methyl ester, TMS

• Formula: C₃₇H₇₂O₅Si₃
• Molecular weight: 681.2211
• IUPAC Standard InChI: InChI=1S/C37H72O5Si3/c1-25(16-15-17-26(2)35(38)39-5)29-18-19-30-34-31(24-33(37(29,30)4)42-45(12,13)14)36(3)21-20-28(40-43(6,7)8)22-27(36)23-32(34)41-44(9,10)11/h25-34H,15-24H2,1-14H3/t25?,26?,27-,28+,29+,30-,31-,32+,33-,34-,36-,37+/m1/s1 Copy

  
• IUPAC Standard InChIKey: GRUORWHHLRJZRJ-GYHRYELVSA-N Copy
• Chemical structure:
  This structure is also available as a 2d Mol file
• Stereoisomers:
  • 3-α,7-α,12-α-Trihydroxy-5-β-cholestanoic acid, methyl ester, TMS
  • 3α,7α,12α-trihydroxy, 5α-cholestanoate, methyl ester-trimethylsilyl ether
  • 3α,7α,12α-trihydroxy, 5β-cholestanoate, methyl ester-trimethylsilyl ether
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• Information on this page:
  • Gas Chromatography
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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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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]

Notes

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