Cholanic acid, 3β,7α-dihydroxy, Me-TMS
- Formula: C31H58O4Si2
- Molecular weight: 550.9608
- IUPAC Standard InChI: InChI=1S/C31H58O4Si2/c1-21(11-14-28(32)33-4)24-12-13-25-29-26(16-18-31(24,25)3)30(2)17-15-23(34-36(5,6)7)19-22(30)20-27(29)35-37(8,9)10/h21-27,29H,11-20H2,1-10H3/t21-,22+,23+,24-,25+,26+,27-,29+,30+,31-/m0/s1
- IUPAC Standard InChIKey: FUVKOFYYHKWFJK-QVGSVIFDSA-N
- CAS Registry Number: 81445-73-0
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Cholanic acid, 3α,7α-dihydroxy, Me-TMS
- Cholanic acid, 3α,7β-dihydroxy, Me-TMS
- Cholanic acid, 3β,7β-dihydroxy, Me-TMS
- Isochenodeoxycholic acid, trimethylsilyl ether-methyl ester
- Cholanoic acid, 3,7-dihydroxy, methyl ester, TMS
- 5β-cholanoate,3α,7α-dihydroxy, methyl ester-trimethylsilyl ether
- allo-Cholanic acid, 3α,7α-dihydroxy, Me-TMS
- allo-Cholanic acid, 3α,7β-dihydroxy, Me-TMS
- allo-Cholanic acid, 3β,7α-dihydroxy, Me-TMS
- allo-Cholanic acid, 3β,7β-dihydroxy, Me-TMS
- Other names: 3β,7α-Dihydroxy-5β-cholanoic acid, MeTMS; Methyl 3-β,7-α-dihydroxy-5-β-cholanoate, TMS; 3β,7α-Dihydroxy-5β-cholanic 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, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | OV-1 | 270. | 3190. | Lawson and Setchell, 1988 | 18. m/0.20 mm/0.25 μm, He |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Ultra-1 | 3155. | 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 | OV-1 | 3190. | 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 | 3536. | 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]
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]
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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