5-β-Cholestane, 3-α,7-α,12-α,27-tetraol, TMS
- Formula: C39H80O4Si4
- Molecular weight: 725.3921
- IUPAC Standard InChI: InChI=1S/C39H80O4Si4/c1-28(27-40-44(5,6)7)18-17-19-29(2)32-20-21-33-37-34(26-36(39(32,33)4)43-47(14,15)16)38(3)23-22-31(41-45(8,9)10)24-30(38)25-35(37)42-46(11,12)13/h28-37H,17-27H2,1-16H3/t28?,29?,30-,31+,32?,33?,34?,35+,36-,37?,38?,39?/m1/s1
- IUPAC Standard InChIKey: FQRGIGVECJSGDA-RMFUMDPWSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: 5β-Cholestane-3α,7α,12α,26-tetrol, 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, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP Sil 5 CB | 3502. | Batta and Salen, 1999 | 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 | Ultra-1 | 3450. | Axelson, Ellis, et al., 2000 | 25. m/0.32 mm/0.17 μm, H2; Program: 50 0C (3 min) -> 185 0C 5 K/min -> 280 0C |
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]
Axelson, Ellis, et al., 2000
Axelson, M.; Ellis, E.; Mörk, B.; Garmark, K.; Abrahamsson, A.; Björkhem, I.; Ericzon, B.-G.; Einarsson, C.,
Bile acid synthesis in cultured human hepatocytes: support for an alternative biosynthetic pathway to cholic acid,
Hepatology, 2000, 31, 6, 1305-1312, https://doi.org/10.1053/jhep.2000.7877
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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