1-β,3-α,7-β-Trihydroxy-5-β-cholic acid, methyl ester, 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(18-19-33(26,27)2)34(3)24(21-29(32)38-41(8,9)10)20-25(37-40(5,6)7)22-30(34)39-42(11,12)13/h23-30,32H,14-22H2,1-13H3/t23-,24+,25+,26-,27?,28?,29+,30-,32?,33-,34+/m0/s1 Copy

  
• IUPAC Standard InChIKey: JHPTVQSLAGNFLI-JHHDWLDKSA-N Copy
• Chemical structure:
  This structure is also available as a 2d Mol file
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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, 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.

Meng, Reyes, et al., 1997
Meng, L.-J.; Reyes, H.; Palma, J.; Hernandez, I.; Ribalta, J.; Sjövall, J., Effects of ursodeoxycholic acid on conjugated bile acids and progesterone metabolites in serum and urine of patients with intrahepatic cholestasis of pregnancy, J. Hepatol., 1997, 27, 6, 1029-1040, https://doi.org/10.1016/S0168-8278(97)80147-X . [all data]

Notes

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