Methyl 3-β,7-α,12-α-trihydroxy-5-βcholanoate, TMS
- Formula: C34H66O5Si3
- Molecular weight: 639.1413
- IUPAC Standard InChI: InChI=1S/C34H66O5Si3/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/h23-30,32H,14-22H2,1-13H3/t23-,24+,25+,26-,27?,28?,29-,30+,32?,33+,34-/m0/s1
- IUPAC Standard InChIKey: DQKFOBXAKZGIPX-XXOUCPERSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Methyl cholate, 3TMS derivative
- 3α,7α,12β-Trihydroxy-5β-cholanoic acid, methyl ester-trimethylsilyl ether
- 3α,7β,12β-Trihydroxy-5β-cholanoic acid, methyl ester-trimethylsilyl ether
- 3α,7β,12α-Trihydroxy-5β-cholanoic acid, MeTMS
- 3α,7β,12α-Trihydroxy-5β-cholanoic acid, methyl ester-trimethylsilyl ether
- 3α,12α-Dihydroxy-5β-cholanoic acid, methyl ester-trimethylsilyl ether
- 5α-cholanoate,3α,7α,12α-trihydroxy, methyl ester-trimethylsilyl ether
- 5β-cholanoate,3α,7α,12α-trihydroxy, methyl ester-trimethylsilyl ether
- allo-Cholanic acid, 3α,7α,12α-trihydroxy, Me-TMS
- allo-Cholanic acid, 3α,7α,12β-trihydroxy, Me-TMS
- allo-Cholanic acid, 3α,7β,12α-trihydroxy, Me-TMS
- allo-Cholanic acid, 3α,7β,12β-trihydroxy, Me-TMS
- allo-Cholanic acid, 3β,7α,12α-trihydroxy, Me-TMS
- allo-Cholanic acid, 3β,7α,12β-trihydroxy, Me-TMS
- allo-Cholanic acid, 3β,7β,12α-trihydroxy, Me-TMS
- allo-Cholanic acid, 3β,7β,12β-trihydroxy, Me-TMS
- Cholanic acid, 3α,7α,12α-trihydroxy, Me-TMS
- Cholanic acid, 3α,7α,12β-trihydroxy, Me-TMS
- Cholanic acid, 3α,7β,12α-trihydroxy, Me-TMS
- Cholanic acid, 3α,7β,12β-trihydroxy, Me-TMS
- Cholanic acid, 3β,7α,12α-trihydroxy, Me-TMS
- Cholanic acid, 3β,7α,12β-trihydroxy, Me-TMS
- Cholanic acid, 3β,7β,12α-trihydroxy, Me-TMS
- Cholanic acid, 3β,7β,12β-trihydroxy, Me-TMS
- Other names: 3-β,7-α,12-α-Trihydroxy-5-β-cholanoic acid, MeTMS; 5-β-Cholanoic acid, 3-β-7-α,12-α-trihydroxy, 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, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Ultra-1 | 3210. | 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 | 3186. | Meng, Reyes, et al., 1997 | Program: not specified |
| Capillary | Methyl Silicone | 3186. | 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.
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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