Cholanic acid, 3α,7α-dihydroxy, Me-TMS
- Formula: C31H58O4Si2
- Molecular weight: 550.9608
- IUPAC Standard InChI: InChI=1S/C31H58O4Si2/c1-21(11-14-28(32)33-4)24-12-13-25-29-26(16-18-31(24,25)3)30(2)17-15-23(34-36(5,6)7)19-22(30)20-27(29)35-37(8,9)10/h21-27,29H,11-20H2,1-10H3/t21-,22+,23-,24-,25+,26+,27-,29+,30+,31-/m0/s1
- IUPAC Standard InChIKey: FUVKOFYYHKWFJK-CPENPXANSA-N
- CAS Registry Number: 52759-80-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Stereoisomers:
- Cholanic acid, 3α,7β-dihydroxy, Me-TMS
- Cholanic acid, 3β,7β-dihydroxy, Me-TMS
- Cholanic acid, 3β,7α-dihydroxy, Me-TMS
- Isochenodeoxycholic acid, trimethylsilyl ether-methyl ester
- Cholanoic acid, 3,7-dihydroxy, methyl ester, TMS
- 5β-cholanoate,3α,7α-dihydroxy, methyl ester-trimethylsilyl ether
- allo-Cholanic acid, 3α,7α-dihydroxy, Me-TMS
- allo-Cholanic acid, 3α,7β-dihydroxy, Me-TMS
- allo-Cholanic acid, 3β,7α-dihydroxy, Me-TMS
- allo-Cholanic acid, 3β,7β-dihydroxy, Me-TMS
- Other names: Chenodeoxycholic acid, trimethylsilyl ether-methyl ester; 3α,7α-Dihydroxy-5β-cholanic acid, methyl ester, TMS; Chenodeoxycholic acid, methyl ester, TMS; Methyl 3-α,7-α-dihydroxy-5-β-cholanoate, TMS; 3-α,7-α-Dihydroxy-5-β-cholanoic acid, MeTMS; 3α,7α-Dihydroxy-5β-cholanoic acid, methyl ester-trimethylsilyl ether; 5-β-Cholanoic acid, 3-α-7-α-diydroxy, methyl ester, TMS
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Normal alkane RI, non-polar column, temperature ramp
Go To: Top, References, Notes
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
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | CP Sil 5 CB | Methyl Silicone |
| Column length (m) | 25. | 25. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.22 | 0.32 |
| Phase thickness (μm) | 0.25 | |
| Tstart (C) | 100. | 80. |
| Tend (C) | 278. | 280. |
| Heat rate (K/min) | 35. | 25. |
| Initial hold (min) | 2. | |
| Final hold (min) | ||
| I | 3244. | 3198. |
| Reference | Batta, Aggarwal, et al., 1995 | Ichimiya, Egestad, et al., 1991 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Ichimiya, Egestad, et al., 1991
Ichimiya, H.; Egestad, B.; Nazer, H.; Baginski, E.S.; Clayton, P.T.; Sjövall, J.,
Bile acids and bile alcohols in a child with hepatic 3β-hydroxy-Δ5-C27-steroid dehydrogenase deficiency: effects of chenodeoxycholic acid treatment,
J. Lipid Res., 1991, 32, 829-841. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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