Murocholic acid, trimethyl ether-methyl ester
- Formula: C31H58O4Si2
- Molecular weight: 550.9608
- IUPAC Standard InChI: InChI=1S/C31H58O4Si2/c1-21(11-14-29(32)33-4)24-12-13-25-23-20-28(35-37(8,9)10)27-19-22(34-36(5,6)7)15-17-31(27,3)26(23)16-18-30(24,25)2/h21-28H,11-20H2,1-10H3/t21-,22-,23?,24?,25?,26?,27?,28-,30-,31-/m0/s1
- IUPAC Standard InChIKey: FYDBJLGZNQLQEL-HPRGHICTSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: 3α,6β-Dihydroxy-5β-cholanoic acid, MeTMS; 3α,6β-Dihydroxy-5β-cholanoic acid, methyl ester-trimethylsilyl ether
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- Other data available:
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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 | Capillary |
|---|---|---|---|
| Active phase | CP Sil 5 CB | CP Sil 5 CB | CP Sil 5 CB |
| Column length (m) | 25. | 25. | 25. |
| Carrier gas | He | He | He |
| Substrate | |||
| Column diameter (mm) | 0.22 | 0.22 | 0.22 |
| Phase thickness (μm) | |||
| Tstart (C) | 100. | 100. | 100. |
| Tend (C) | 278. | 278. | 278. |
| Heat rate (K/min) | 35. | 35. | 35. |
| Initial hold (min) | 2. | 2. | |
| Final hold (min) | |||
| I | 3242. | 3268. | 3242. |
| Reference | Batta and Salen, 1999 | Batta, Salen, et al., 1997 | Batta, Aggarwal, et al., 1995 |
| Comment | MSDC-RI | 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 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]
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]
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]
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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