1-O-(24-chenodeoxycholyl)-α-D-glucopyranose, TFA

• Formula: C₄₂H₄₄F₁₈O₁₅
• Molecular weight: 1130.7610
• IUPAC Standard InChI: InChI=1S/C42H44F18O15/c1-15(18-5-6-19-24-20(9-11-36(18,19)3)35(2)10-8-17(69-30(63)38(46,47)48)12-16(35)13-21(24)71-31(64)39(49,50)51)4-7-23(61)72-28-27(75-34(67)42(58,59)60)26(74-33(66)41(55,56)57)25(73-32(65)40(52,53)54)22(70-28)14-68-29(62)37(43,44)45/h15-22,24-28H,4-14H2,1-3H3/t15-,16?,17-,18-,19?,20?,21-,22-,24?,25-,26+,27-,28-,35+,36-/m0/s1 Copy

  
• IUPAC Standard InChIKey: YGPQRMKMRCMANY-YOICKMKISA-N Copy
• Chemical structure:
  This structure is also available as a 2d Mol file
• Stereoisomers:
  • 1-O-(24-chenodeoxycholyl)-β-D-galactopyranose, TFA
  • 1-O-(24-chenodeoxycholyl)-β-D-glucopyranose, TFA
  • 1-O-(24-ursodeoxycholyl)-α-D-glucopyranose, TFA
  • 1-O-(24-ursodeoxycholyl)-β-D-galactopyranose, TFA
  • 1-O-(24-ursodeoxycholyl)-β-D-glucopyranose, TFA
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• Information on this page:
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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.

Iida, Ogawa, et al., 2004
Iida, T.; Ogawa, S.; Kakiyama, G.; Goto, T.; Mano, N.; Goto, J.; Nambara, T., Capillary gas chromatographic separation of bile acid acyl glycosides without thermal decomposition and isomerization, J. Chromatogr. A, 2004, 1057, 1-2, 171-176, https://doi.org/10.1016/j.chroma.2004.09.029 . [all data]

Notes

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