Methyl lithocholate, (3α,5β)-, TMS derivative
- Formula: C28H50O3Si
- Molecular weight: 462.7803
- IUPAC Standard InChI: InChI=1S/C28H50O3Si/c1-19(8-13-26(29)30-4)23-11-12-24-22-10-9-20-18-21(31-32(5,6)7)14-16-27(20,2)25(22)15-17-28(23,24)3/h19-25H,8-18H2,1-7H3/t19-,20-,21-,22+,23-,24+,25+,27+,28-/m0/s1
- IUPAC Standard InChIKey: MMCLGKIAEUXBCF-LHCCZRFYSA-N
- CAS Registry Number: 59953-47-8
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Other names: Cholan-24-oic acid, 3-[(trimethylsilyl)oxy]-, methyl ester, (3α,5β)-; Methyl 3-[(trimethylsilyl)oxy]cholan-24-oate, (3α,5β)-; 3α-Hydroxy-5β-cholanoic acid, methyl ester, trimethylsilyl ether; 3-α-Hydroxy-5-β-cholanoic acid, methyl ester, TMS ether; 5-β-Cholanoic acid, 3-α.-hydroxy, methyl ester, TMS; Lithocholic acid, trimethylsilyl ether, methyl ester; Cholanic acid, 3β-hydroxy, Me-TMS; 3-α-Hydroxy-5-β-cholanoic acid, MeTMS; 3β-Hydroxy-5β-cholanic acid, methyl ester, TMS
- Information on this page:
- Other data available:
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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
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | OV-1 | 270. | 3133. | Lawson and Setchell, 1988 | 18. m/0.20 mm/0.25 μm, He |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP Sil 5 CB | 3179. | Batta and Salen, 1999 | He, 100. C @ 2. min, 35. K/min; Column length: 25. m; Column diameter: 0.22 mm; Tend: 278. C |
| Capillary | CP Sil 5 CB | 3157. | Batta, Aggarwal, et al., 1995 | He, 100. C @ 2. min, 35. K/min; Column length: 25. m; Column diameter: 0.22 mm; Tend: 278. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Methyl Silicone | 3103. | Meng, Reyes, et al., 1997 | Program: not specified |
| Capillary | Methyl Silicone | 3103. | Meng and Sjövall, 1997 | 25. m/0.32 mm/0.25 μm; Program: 60 0C 30 K/min -> 210 0C (1.5 min) 2.5 K/min -> 320 0C (20 min) |
| Capillary | OV-1 | 3133. | Iida, Momose, et al., 1987 | 18. m/0.20 mm/0.25 μm, He; Program: not specified |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 3647. | Iida, Momose, et al., 1987 | 15. m/0.25 mm/0.25 μm, He; Program: not specified |
References
Go To: Top, Gas Chromatography, Notes
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]
Batta and Salen, 1999
Batta, A.K.; Salen, G.,
Gas chromatography of bile acids,
J. Chromatogr. B, 1999, 723, 1-2, 1-16, https://doi.org/10.1016/S0378-4347(98)00528-3
. [all data]
Batta, Aggarwal, et al., 1995
Batta, A.K.; Aggarwal, S.K.; Tint, G.S.; Batta, M.; Salen, G.,
Capillary gas-liquid chromatography of 6-hydroxylated bile acids,
J. Chromatogr. A, 1995, 704, 1, 228-233, https://doi.org/10.1016/0021-9673(95)00183-N
. [all data]
Meng, Reyes, et al., 1997
Meng, L.-J.; Reyes, H.; Palma, J.; Hernandez, I.; Ribalta, J.; Sjövall, J.,
Profiles of bile acids and progesterone metabolites in the urine and serum of women with intrahepatic cholestasis of pregnancy,
J. Hepatol., 1997, 27, 2, 346-357, https://doi.org/10.1016/S0168-8278(97)80181-X
. [all data]
Meng and Sjövall, 1997
Meng, L.-J.; Sjövall, J.,
Method for combined analysis of profiles of conjugated progesterone metabolites and bile acids in serum and urine of pregnant women,
J. Chromatogr. B, 1997, 688, 1, 11-26, https://doi.org/10.1016/S0378-4347(97)88051-6
. [all data]
Iida, Momose, et al., 1987
Iida, T.; Momose, T.; Tamura, T.; Matsumoto, T.; Goto, J.; Nambara, T.; Chang, F.C.,
Capillary gas chromatography of hydroxylated bile acid stereoisomers of the allo and normal series,
J. Chromatogr., 1987, 389, 155-164, https://doi.org/10.1016/S0021-9673(01)94419-X
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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