allo-Cholanic acid, 3β,12β-dihydroxy, Me-TMS
- Formula: C31H58O4Si2
- Molecular weight: 550.9608
- IUPAC Standard InChI: InChI=1S/C31H58O4Si2/c1-21(11-16-29(32)33-4)25-14-15-26-24-13-12-22-19-23(34-36(5,6)7)17-18-30(22,2)27(24)20-28(31(25,26)3)35-37(8,9)10/h21-28H,11-20H2,1-10H3/t21-,22+,23+,24+,25-,26+,27+,28-,30+,31-/m0/s1
- IUPAC Standard InChIKey: RDYDEBUPRPMEHW-IDEWQHOHSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Methyl desoxycholate, 2TMS derivative
- 3α,12β-Dihydroxy-5β-cholanoic acid, methyl ester-trimethylsilyl ether
- 3-α,12-α-Dihydroxy-5-α-cholanoic acid, MeTMS
- 3-β,12-α-Dihydroxy-5-α-cholanoic acid, MeTMS
- 3-β,12-α-Dihydroxy-5-β-cholanoic acid, MeTMS
- 5-α-Cholanoic acid, 3-α-12-β-dihydroxy, methyl ester, TMS
- allo-Cholanic acid, 3α,12α-dihydroxy, Me-TMS
- allo-Cholanic acid, 3α,12β-dihydroxy, Me-TMS
- allo-Cholanic acid, 3β,12α-dihydroxy, Me-TMS
- Cholanic acid, 3α,12α-dihydroxy, Me-TMS
- Cholanic acid, 3α,12β-dihydroxy, Me-TMS
- Cholanic acid, 3β,12α-dihydroxy, Me-TMS
- Cholanic acid, 3β,12β-dihydroxy, Me-TMS
- Other names: 3β,12β-Dihydroxy-5α-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. | 3298. | 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 | OV-1 | 3298. | 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 | 3705. | 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]
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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