7α,12α-dihydroxy-3-oxy-4-chol-24-oate, TMS

Formula: C₃₆H₆₈O₅Si₄
Molecular weight: 693.2641
IUPAC Standard InChI: InChI=1S/C36H68O5Si4/c1-25(16-19-33(37)41-45(13,14)15)28-17-18-29-34-30(24-32(36(28,29)3)40-44(10,11)12)35(2)21-20-27(38-42(4,5)6)22-26(35)23-31(34)39-43(7,8)9/h20,22,25,28-32,34H,16-19,21,23-24H2,1-15H3/t25?,28-,29?,30?,31-,32+,34?,35+,36-/m0/s1
IUPAC Standard InChIKey: GLKHZJHSPOOTGF-RRSXFYFVSA-N
Chemical structure:
This structure is also available as a 2d Mol file
Stereoisomers:
- 4-Cholenoic acid, 7-α-ol-3-one, TMS
- 4-Cholenoic acid, 7-β-ol-3-one, TMS
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Gas Chromatography

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

Normal alkane RI, non-polar column, custom temperature program

Column type	Active phase	I	Reference	Comment
Capillary	SE-30	3360.	Axelson, Mörk, et al., 1988	30. m/0.32 mm/0.25 μm; Program: 50C(6min) => rapid increase => 190C => 5C/min => 285C

References

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Axelson, Mörk, et al., 1988
Axelson, M.; Mörk, B.; Sjövall, J., Occurrence of 3β-hydroxy-5-cholestenoic acid, 3β,7α-dihydroxy-5-cholestenoic acid, and 7α-hydroxy-3-oxo-4-cholestenoic acid as normal constituents in human blood, J. Lipid Res., 1988, 29, 629-641. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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