Isochenodeoxycholic acid, trimethylsilyl ether-methyl ester
- 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-LKYMSQLVSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Cholanic acid, 3α,7α-dihydroxy, Me-TMS
- Cholanic acid, 3α,7β-dihydroxy, Me-TMS
- Cholanic acid, 3β,7β-dihydroxy, Me-TMS
- Cholanic acid, 3β,7α-dihydroxy, Me-TMS
- 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
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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 | 3232. | Batta, Salen, et al., 1997 | He, 35. K/min; Column length: 25. m; Column diameter: 0.22 mm; Tstart: 100. C; Tend: 278. C |
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.
Batta, Salen, et al., 1997
Batta, A.K.; Salen, G.; Batta, M.; Earnest, D.; Alberts, D.,
Capillary gas-liquid chromatography of acetate-methyl esters of bile acids,
J. Chromatogr. A, 1997, 766, 1-2, 286-291, https://doi.org/10.1016/S0021-9673(96)01016-3
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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