3α,7α,12β-Trihydroxy-5β-cholanoic acid, methyl ester-trimethylsilyl ether
- 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?/m1/s1
- IUPAC Standard InChIKey: DQKFOBXAKZGIPX-FYXLKUPBSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Methyl cholate, 3TMS derivative
- 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
- Methyl 3-β,7-α,12-α-trihydroxy-5-βcholanoate, TMS
- 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: 3α,7α,12β-Trihydroxy-5β-cholanoic acid, MeTMS; 3α,7α,12β-Trihydroxy-5β-cholanoic acid, trimethylsilyl ether-methyl ester
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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 | CP Sil 5 CB | 3268. | Batta, Salen, et al., 1997 | He, 35. K/min; Column length: 25. m; Column diameter: 0.22 mm; Tstart: 100. C; Tend: 278. C |
| Capillary | CP Sil 5 CB | 3240. | 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 |
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.
Batta, Salen, et al., 1997
Batta, A.K.; Salen, G.; Batta, M.; Earnest, D.; Alberts, D.,
Capillary gas-liquid chromatography of acetate-methyl esters of bile acids,
J. Chromatogr. A, 1997, 766, 1-2, 286-291, https://doi.org/10.1016/S0021-9673(96)01016-3
. [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]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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