3-α,6-α,7-β-Trihydroxy-5-β-cholic acid, methyl ester, TMS
- Formula: C34H66O5Si3
- Molecular weight: 639.1413
- IUPAC Standard InChI: InChI=1S/C34H66O5Si3/c1-23(14-17-29(35)36-4)25-15-16-26-30-27(19-21-33(25,26)2)34(3)20-18-24(37-40(5,6)7)22-28(34)31(38-41(8,9)10)32(30)39-42(11,12)13/h23-28,30-32H,14-22H2,1-13H3/t23-,24-,25?,26?,27?,28?,30?,31-,32-,33-,34-/m0/s1
- IUPAC Standard InChIKey: MPBUWUAYSDIDGN-CQAQCTJOSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: 3α,6α,7β-Trihydroxy-5β-cholanoic acid, methyl ester-trimethylsilyl ether; 3α,6α,7β-Trihydroxy-5β-cholanoic acid, MeTMS; ω-Muricholic acid, trimethyl 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 | 3453. | 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 | 3483. | 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 | 3453. | 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 |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Methyl Silicone | 3428. | Meng, Reyes, et al., 1997 | 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.
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]
Meng, Reyes, et al., 1997
Meng, L.-J.; Reyes, H.; Palma, J.; Hernandez, I.; Ribalta, J.; Sjövall, J.,
Effects of ursodeoxycholic acid on conjugated bile acids and progesterone metabolites in serum and urine of patients with intrahepatic cholestasis of pregnancy,
J. Hepatol., 1997, 27, 6, 1029-1040, https://doi.org/10.1016/S0168-8278(97)80147-X
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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