Methyl lithocholate, (3α,5β)-, TMS derivative

• Formula: C₂₈H₅₀O₃Si
• Molecular weight: 462.7803
• IUPAC Standard InChI: InChI=1S/C28H50O3Si/c1-19(8-13-26(29)30-4)23-11-12-24-22-10-9-20-18-21(31-32(5,6)7)14-16-27(20,2)25(22)15-17-28(23,24)3/h19-25H,8-18H2,1-7H3/t19-,20-,21-,22+,23-,24+,25+,27+,28-/m0/s1 Copy

  
• IUPAC Standard InChIKey: MMCLGKIAEUXBCF-LHCCZRFYSA-N Copy
• CAS Registry Number: 59953-47-8
• Chemical structure:
  This structure is also available as a 2d Mol file
• Species with the same structure:
  • Cholanic acid, 3α-hydroxy, Me-TMS
• Stereoisomers:
  • Isolithocholic acid, trimethylsilyl ether-methyl ester
  • 3-β-Hydroxy-5-β-cholanoic acid, MeTMS
  • allo-Cholanic acid, 3α-hydroxy, Me-TMS
  • allo-Cholanic acid, 3β-hydroxy, Me-TMS
• Other names: Cholan-24-oic acid, 3-[(trimethylsilyl)oxy]-, methyl ester, (3α,5β)-; Methyl 3-[(trimethylsilyl)oxy]cholan-24-oate, (3α,5β)-; 3α-Hydroxy-5β-cholanoic acid, methyl ester, trimethylsilyl ether; 3-α-Hydroxy-5-β-cholanoic acid, methyl ester, TMS ether; 5-β-Cholanoic acid, 3-α.-hydroxy, methyl ester, TMS; Lithocholic acid, trimethylsilyl ether, methyl ester; Cholanic acid, 3β-hydroxy, Me-TMS; 3-α-Hydroxy-5-β-cholanoic acid, MeTMS; 3β-Hydroxy-5β-cholanic acid, methyl ester, TMS
• Information on this page:
  • Normal alkane RI, non-polar column, custom temperature program
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Options:
  • Switch to calorie-based units

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

Go To: Top, References, Notes

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, Reyes, et al., 1997
Meng, L.-J.; Reyes, H.; Palma, J.; Hernandez, I.; Ribalta, J.; Sjövall, J., Profiles of bile acids and progesterone metabolites in the urine and serum of women with intrahepatic cholestasis of pregnancy, J. Hepatol., 1997, 27, 2, 346-357, https://doi.org/10.1016/S0168-8278(97)80181-X . [all data]

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]

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

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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