3-α,7-α,12-α-Trihydroxy-nor-5-β-cholanoic acid, MeTMS
- Formula: C33H64O5Si3
- Molecular weight: 625.1148
- IUPAC Standard InChI: InChI=1S/C33H64O5Si3/c1-22(18-30(34)35-4)25-14-15-26-31-27(21-29(33(25,26)3)38-41(11,12)13)32(2)17-16-24(36-39(5,6)7)19-23(32)20-28(31)37-40(8,9)10/h22-29,31H,14-21H2,1-13H3/t22-,23+,24-,25-,26?,27?,28-,29+,31?,32+,33-/m0/s1
- IUPAC Standard InChIKey: IQRHCEGIECHWFO-SIBKOBOISA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 23-nor-5-β-Cholanoic acid, 3-α,7-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 | 3096. | Meng, Reyes, et al., 1997 | Program: not specified |
| Capillary | Methyl Silicone | 3096. | 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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