5-Cholenoic acid, 3-β-hydroxy, methyl ester, TMS
- Formula: C28H48O3Si
- Molecular weight: 460.7644
- IUPAC Standard InChI: InChI=1S/C28H48O3Si/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/h9,19,21-25H,8,10-18H2,1-7H3/t19-,21+,22?,23-,24?,25?,27+,28-/m0/s1
- IUPAC Standard InChIKey: XCHAAEKPDWQLIP-LFKYXLBRSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: 3-β-Hydroxy-5-cholenoic acid, MeTMS; Methyl 3-β-hydroxy-5-cholenoate, TMS; 3-β-Hydroxy-5-cholenoic acid, methyl ester, TMS
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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, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Methyl Silicone | 3192. | Ichimiya, Egestad, et al., 1991 | 25. m/0.32 mm/0.25 μm, He, 25. K/min; Tstart: 80. C; Tend: 280. C |
| Capillary | Methyl Silicone | 3192. | Ichimiya, Egestad, et al., 1991 | 25. m/0.32 mm/0.25 μm, He, 25. K/min; Tstart: 80. C; Tend: 280. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Ultra-1 | 3175. | Axelson, Ellis, et al., 2000 | 25. m/0.32 mm/0.17 μm, H2; Program: 50 0C (3 min) -> 185 0C 5 K/min -> 280 0C |
| Capillary | Methyl Silicone | 3174. | Meng, Reyes, et al., 1997 | Program: not specified |
| Capillary | Methyl Silicone | 3172. | 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 | Methyl Silicone | 3174. | 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) |
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.
Ichimiya, Egestad, et al., 1991
Ichimiya, H.; Egestad, B.; Nazer, H.; Baginski, E.S.; Clayton, P.T.; Sjövall, J.,
Bile acids and bile alcohols in a child with hepatic 3β-hydroxy-Δ5-C27-steroid dehydrogenase deficiency: effects of chenodeoxycholic acid treatment,
J. Lipid Res., 1991, 32, 829-841. [all data]
Axelson, Ellis, et al., 2000
Axelson, M.; Ellis, E.; Mörk, B.; Garmark, K.; Abrahamsson, A.; Björkhem, I.; Ericzon, B.-G.; Einarsson, C.,
Bile acid synthesis in cultured human hepatocytes: support for an alternative biosynthetic pathway to cholic acid,
Hepatology, 2000, 31, 6, 1305-1312, https://doi.org/10.1053/jhep.2000.7877
. [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]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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