Cholanic acid, 3α,7α-dihydroxy, Me-TMS

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

  
• IUPAC Standard InChIKey: FUVKOFYYHKWFJK-CPENPXANSA-N Copy
• CAS Registry Number: 52759-80-5
• Chemical structure:
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• Stereoisomers:
  • Cholanic acid, 3α,7β-dihydroxy, Me-TMS
  • Cholanic acid, 3β,7β-dihydroxy, Me-TMS
  • Cholanic acid, 3β,7α-dihydroxy, Me-TMS
  • Isochenodeoxycholic acid, trimethylsilyl ether-methyl ester
  • Cholanoic acid, 3,7-dihydroxy, methyl ester, TMS
  • 5β-cholanoate,3α,7α-dihydroxy, methyl ester-trimethylsilyl ether
  • allo-Cholanic acid, 3α,7α-dihydroxy, Me-TMS
  • allo-Cholanic acid, 3α,7β-dihydroxy, Me-TMS
  • allo-Cholanic acid, 3β,7α-dihydroxy, Me-TMS
  • allo-Cholanic acid, 3β,7β-dihydroxy, Me-TMS
• Other names: Chenodeoxycholic acid, trimethylsilyl ether-methyl ester; 3α,7α-Dihydroxy-5β-cholanic acid, methyl ester, TMS; Chenodeoxycholic acid, methyl ester, TMS; Methyl 3-α,7-α-dihydroxy-5-β-cholanoate, TMS; 3-α,7-α-Dihydroxy-5-β-cholanoic acid, MeTMS; 3α,7α-Dihydroxy-5β-cholanoic acid, methyl ester-trimethylsilyl ether; 5-β-Cholanoic acid, 3-α-7-α-diydroxy, 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
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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.

Axelson, Ellis, et al., 2000
Axelson, M.; Ellis, E.; Mörk, B.; Garmark, K.; Abrahamsson, A.; Björkhem, I.; Ericzon, B.-G.; Einarsson, C., Bile acid synthesis in cultured human hepatocytes: support for an alternative biosynthetic pathway to cholic acid, Hepatology, 2000, 31, 6, 1305-1312, https://doi.org/10.1053/jhep.2000.7877 . [all data]

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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