3α,7α,12α,25-tetrahydroxy-5β-C27-bile acid, methyl ester, TMS

Formula: C₄₀H₈₀O₆Si₄
Molecular weight: 769.4016
IUPAC Standard InChI: InChI=1S/C40H80O6Si4/c1-28(19-18-23-39(3,37(41)42-5)46-50(15,16)17)31-20-21-32-36-33(27-35(40(31,32)4)45-49(12,13)14)38(2)24-22-30(43-47(6,7)8)25-29(38)26-34(36)44-48(9,10)11/h28-36H,18-27H2,1-17H3/t28?,29-,30+,31+,32-,33-,34+,35-,36-,38-,39?,40+/m1/s1
IUPAC Standard InChIKey: ZGBUQCHKVVZJAS-QPRBOIGESA-N
Chemical structure:
This structure is also available as a 2d Mol file
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Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Normal alkane RI, non-polar column, isothermal

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	OV-1	275.	3628.	Lawson and Setchell, 1988	18. m/0.20 mm/0.25 μm, He

References

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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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