3α,4β-dihydroxy-5β-cholanoic acid, methyl ester-trimethylsilyl-ether derivative
- Formula: C31H58O4Si2
- Molecular weight: 550.9608
- IUPAC Standard InChI: InChI=1S/C31H58O4Si2/c1-21(11-16-28(32)33-4)23-14-15-24-22-12-13-26-29(35-37(8,9)10)27(34-36(5,6)7)18-20-31(26,3)25(22)17-19-30(23,24)2/h21-27,29H,11-20H2,1-10H3/t21?,22?,23-,24?,25?,26-,27-,29-,30-,31-/m0/s1
- IUPAC Standard InChIKey: OSOBSDUNXQOELS-ADGJIRMHSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
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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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 3339. | Dumaswala, Setchell, et al., 1989 | He, 225. C @ 5. min, 2. K/min, 295. C @ 20. min; Column length: 30. m; Phase thickness: 0.25 μm |
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.
Dumaswala, Setchell, et al., 1989
Dumaswala, R.; Setchell, K.D.R.; Zimmer-Nechemias, L.; Iida, T.; Goto, J.; Nambara, T.,
Identification of 3α,4β,7α-trihydroxy-5β-cholanoic acid in human bile: reflection of a new pathway in bile acid metabolism in humans,
J. Lipid Res., 1989, 30, 847-856. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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