Cholanoic acid, 3,6-dihydroxy, methyl ester, TMS

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

  
• IUPAC Standard InChIKey: FYDBJLGZNQLQEL-DVYZTLNDSA-N Copy
• Chemical structure:
  This structure is also available as a 2d Mol file
• Stereoisomers:
  • 3-α,6-α-Dihydroxy-5-β-cholanoic acid, MeTMS
  • Murocholic acid, trimethyl ether-methyl ester
  • Cholanic acid, 3α,6α-dihydroxy, Me-TMS
  • 3α,6α-Dihydroxy-5β-cholanic acid, methyl ester, TMS
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• Information on this page:
  • Normal alkane RI, non-polar column, custom temperature program
  • References
  • Notes
• Other data available:
  • Gas Chromatography
• Options:
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Normal alkane RI, non-polar column, custom temperature program

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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

References

Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes

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

Meng and Sjövall, 1997
Meng, L.-J.; Sjövall, J., Method for combined analysis of profiles of conjugated progesterone metabolites and bile acids in serum and urine of pregnant women, J. Chromatogr. B, 1997, 688, 1, 11-26, https://doi.org/10.1016/S0378-4347(97)88051-6 . [all data]

Notes

Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References

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