3-α,6-α,12-α-Trihydroxy-5-β-cholanoic acid, MeTMS
- Formula: C34H66O5Si3
- Molecular weight: 639.1413
- IUPAC Standard InChI: InChI=1S/C34H66O5Si3/c1-23(14-17-32(35)36-4)26-15-16-27-25-21-30(38-41(8,9)10)29-20-24(37-40(5,6)7)18-19-33(29,2)28(25)22-31(34(26,27)3)39-42(11,12)13/h23-31H,14-22H2,1-13H3/t23-,24-,25?,26-,27?,28?,29+,30+,31+,33-,34-/m0/s1
- IUPAC Standard InChIKey: UQGJPQVEFKEVQU-XKDDARQZSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 5-β-Cholanoic acid, 3-α,6-α,12-α-trihydroxy, 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, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Methyl Silicone | 3280. | Meng, Reyes, et al., 1997 | Program: not specified |
| Capillary | Methyl Silicone | 3280. | Meng and Sjövall, 1997 | 25. m/0.32 mm/0.25 μm; Program: 60 0C 30 K/min -> 210 0C (1.5 min) 2.5 K/min -> 320 0C (20 min) |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Meng, Reyes, et al., 1997
Meng, L.-J.; Reyes, H.; Palma, J.; Hernandez, I.; Ribalta, J.; Sjövall, J.,
Profiles of bile acids and progesterone metabolites in the urine and serum of women with intrahepatic cholestasis of pregnancy,
J. Hepatol., 1997, 27, 2, 346-357, https://doi.org/10.1016/S0168-8278(97)80181-X
. [all data]
Meng and Sjövall, 1997
Meng, L.-J.; Sjövall, J.,
Method for combined analysis of profiles of conjugated progesterone metabolites and bile acids in serum and urine of pregnant women,
J. Chromatogr. B, 1997, 688, 1, 11-26, https://doi.org/10.1016/S0378-4347(97)88051-6
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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