5β-cholanoate,3α,7α,12α-trihydroxy, methyl ester-trimethylsilyl ether
- Formula: C34H66O5Si3
- Molecular weight: 639.1413
- IUPAC Standard InChI: InChI=1S/C34H66O5Si3/c1-23(14-17-31(35)36-4)26-15-16-27-32-28(22-30(34(26,27)3)39-42(11,12)13)33(2)19-18-25(37-40(5,6)7)20-24(33)21-29(32)38-41(8,9)10/h23-30,32H,14-22H2,1-13H3/t23?,24-,25+,26+,27?,28?,29+,30-,32?,33-,34+/m1/s1
- IUPAC Standard InChIKey: DQKFOBXAKZGIPX-AWVDZIISSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Methyl cholate, 3TMS derivative
- 3α,7α,12β-Trihydroxy-5β-cholanoic acid, methyl ester-trimethylsilyl ether
- 3α,7β,12β-Trihydroxy-5β-cholanoic acid, methyl ester-trimethylsilyl ether
- 3α,7β,12α-Trihydroxy-5β-cholanoic acid, MeTMS
- 3α,7β,12α-Trihydroxy-5β-cholanoic acid, methyl ester-trimethylsilyl ether
- 3α,12α-Dihydroxy-5β-cholanoic acid, methyl ester-trimethylsilyl ether
- Methyl 3-β,7-α,12-α-trihydroxy-5-βcholanoate, TMS
- 5α-cholanoate,3α,7α,12α-trihydroxy, methyl ester-trimethylsilyl ether
- allo-Cholanic acid, 3α,7α,12α-trihydroxy, Me-TMS
- allo-Cholanic acid, 3α,7α,12β-trihydroxy, Me-TMS
- allo-Cholanic acid, 3α,7β,12α-trihydroxy, Me-TMS
- allo-Cholanic acid, 3α,7β,12β-trihydroxy, Me-TMS
- allo-Cholanic acid, 3β,7α,12α-trihydroxy, Me-TMS
- allo-Cholanic acid, 3β,7α,12β-trihydroxy, Me-TMS
- allo-Cholanic acid, 3β,7β,12α-trihydroxy, Me-TMS
- allo-Cholanic acid, 3β,7β,12β-trihydroxy, Me-TMS
- Cholanic acid, 3α,7α,12α-trihydroxy, Me-TMS
- Cholanic acid, 3α,7α,12β-trihydroxy, Me-TMS
- Cholanic acid, 3α,7β,12α-trihydroxy, Me-TMS
- Cholanic acid, 3α,7β,12β-trihydroxy, Me-TMS
- Cholanic acid, 3β,7α,12α-trihydroxy, Me-TMS
- Cholanic acid, 3β,7α,12β-trihydroxy, Me-TMS
- Cholanic acid, 3β,7β,12α-trihydroxy, Me-TMS
- Cholanic acid, 3β,7β,12β-trihydroxy, 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
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-30 | 3225. | Axelson, Mörk, et al., 1991 | 30. m/0.32 mm/0.25 μm; Program: 50C(6min) => rapidly => 190C => 5C/min => 285C |
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.
Axelson, Mörk, et al., 1991
Axelson, M.; Mörk, B.; Everson, G.T.,
Bile Acid Synthesis in Cultured Human Hepatoblastoma Cells,
J. Biol. Chem., 1991, 266, 27, 17770-17777. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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