3β,7α,12α-Trihydroxy-4-cholenic acid, methyl ester, TMS

• Formula: C₃₄H₆₄O₅Si₃
• Molecular weight: 637.1255
• IUPAC Standard InChI: InChI=1S/C34H64O5Si3/c1-23(14-17-31(35)36-4)26-15-16-27-32-28(22-30(34(26,27)3)39-42(11,12)13)33(2)19-18-25(37-40(5,6)7)20-24(33)21-29(32)38-41(8,9)10/h20,23,25-30,32H,14-19,21-22H2,1-13H3/t23-,25+,26-,27+,28+,29-,30+,32+,33+,34-/m0/s1 Copy

  
• IUPAC Standard InChIKey: QVMBQRVPUGQSMQ-YFJAVQHYSA-N Copy
• Chemical structure:
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• Stereoisomers:
  • 3-β,7-α,12-α-Trihydroxy-4-cholenoic acid, methyl ester, TMS
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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, isothermal

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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.

Lawson and Setchell, 1988
Lawson, A.M.; Setchell, K.D.R., Appendix of GC retention indices. List of retention indices foe methyl ester - trimethylsilyl (Me-TMS) ether derivatives of bile acids, The Bile Acids. Vol. 4, Methods and Applications, 1988, 4, 571-575. [all data]

Notes

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