3α,6β,7α,12α-Tetrahydroxy-5β-cholanoic acid, trimethylsilyl ether-methyl ester
- Formula: C37H74O6Si4
- Molecular weight: 727.3219
- IUPAC Standard InChI: InChI=1S/C37H74O6Si4/c1-25(17-20-32(38)39-4)27-18-19-28-33-29(24-31(37(27,28)3)41-45(8,9)10)36(2)22-21-26(40-44(5,6)7)23-30(36)34(42-46(11,12)13)35(33)43-47(14,15)16/h25-31,33-35H,17-24H2,1-16H3/t25?,26-,27?,28?,29?,30+,31+,33?,34+,35+,36?,37?/m0/s1
- IUPAC Standard InChIKey: CAHBNWKLPVHQBG-CLTWYAMUSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- 3-α,6-α,7-α,12-α-Tetrahydroxy-5-β-cholanoic acid, MeTMS
- 3α,6β,7β,12α-Tetrahydroxy-5β-cholanoic acid, trimethylsilyl ether-methyl ester
- 3α,6β,7β,12β-Tetrahydroxy-5β-cholanoic acid, methyl ester-trimethylsilyl ether
- 3α,6α,7β,12α-Tetrahydroxy-5β-cholanoic acid, methyl ester-trimethylsilyl ether
- 3α,6β,7α,12β-Tetrahydroxy-5β-cholanoic acid, MeTMS
- 3-β,6-α,7-α,12-α-Tetrahydroxy-5-β-cholanoic acid, MeTMS
- 5-α-Cholanoic acid, 3-α-6-α,7-α,12-α-tetrahydroxy, methyl ester, TMS
- 3α,6α,7α,12α-Tetrahydroxy-5β-cholanic acid, methyl ester, TMS
- Other names: 3α,6β,7α,12α-Tetrahydroxy-5β-cholanoic acid, methyl ester-trimethylsilyl ether; 3α,6β,7α,12α-Tetrahydroxy-5β-cholanoic acid, MeTMS
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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 | 3254. | Batta and Salen, 1999 | He, 100. C @ 2. min, 35. K/min; Column length: 25. m; Column diameter: 0.22 mm; Tend: 278. C |
| Capillary | CP Sil 5 CB | 3282. | 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 | 3254. | 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 and Salen, 1999
Batta, A.K.; Salen, G.,
Gas chromatography of bile acids,
J. Chromatogr. B, 1999, 723, 1-2, 1-16, https://doi.org/10.1016/S0378-4347(98)00528-3
. [all data]
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
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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