Estriol, 3TMS derivative
- Formula: C27H48O3Si3
- Molecular weight: 504.9247
- IUPAC Standard InChI: InChI=1S/C27H48O3Si3/c1-27-16-15-22-21-14-12-20(28-31(2,3)4)17-19(21)11-13-23(22)24(27)18-25(29-32(5,6)7)26(27)30-33(8,9)10/h12,14,17,22-26H,11,13,15-16,18H2,1-10H3/t22?,23?,24?,25-,26+,27?/m0/s1
- IUPAC Standard InChIKey: MCKRDIGCTGOZEH-YHZIIQIWSA-N
- CAS Registry Number: 18888-17-0
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Tri(trimethylsilyl) derivative of estriol; Estratriol tri-TMS; Trimethylsilyl ether of estriol; Silane, [[(16α,17β)-estra-1,3,5(10)-triene-3,16,17-triyl]tris(oxy)]tris[trimethyl-; 3,16,17-Tris[(trimethylsilyl)oxy]estra-1,3,5(10)-triene, (16α,17β)-; Estriol, tris-TMS; Estriol, tris-TMS ether; Estriol, tris(trimethylsilyl) ether; Oestriol, tris-TMS; Tris(trimethylsilyl)estriol; Estriol, TMS; Oestriol, TMS; Estriol, MO TMS
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Gas Chromatography
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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | SE-30 | 221. | 2885. | Mitra, 1982 | N2; Column length: 30. m; Column diameter: 0.25 mm |
| Capillary | SE-30 | 231. | 2894. | Mitra, 1982 | N2; Column length: 30. m; Column diameter: 0.25 mm |
| Capillary | SE-30 | 241. | 2904. | Mitra, 1982 | N2; Column length: 30. m; Column diameter: 0.25 mm |
| Packed | OV-1 | 225. | 2870. | Voelter, Jung, et al., 1971 | N2, GasChrom Q |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 2870. | Gerhardt, Ludwig-Köhn, et al., 1989 | 25. m/0.32 mm/0.25 μm, H2, 2. K/min; Tstart: 120. C; Tend: 270. C |
| Capillary | DB-5 | 2870. | Gerhardt, Ludwig-Köhn, et al., 1989 | 25. m/0.32 mm/0.25 μm, H2, 2. K/min; Tstart: 120. C; Tend: 270. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 2918.7 | Tret'yakov, 2007 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | OV-101 | 240. | 2892. | Krupcik, Rutten, et al., 1976 | Column length: 30. m; Column diameter: 0.25 mm |
| Capillary | OV-101 | 251. | 2901. | Krupcik, Rutten, et al., 1976 | Column length: 30. m; Column diameter: 0.25 mm |
| Packed | OV-1 | 200. | 2850. | Dehennin and Scholler, 1969 | N2, Gas-Chrom Q; Column length: 1.50 m |
| Packed | OV-1 | 200. | 2870. | Dehennin and Scholler, 1969 | N2, Gas-Chrom Q; Column length: 1.50 m |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | SE-30 | 2889. | Harvey, 1980 | N2, Gas Chrom Q, 4. K/min; Column length: 2. m; Tstart: 150. C; Tend: 300. C |
| Capillary | SE-30 | 2865. | Fels, Dehennin, et al., 1975 | 20. m/0.25 mm/0.33 μm, 1.3 K/min; Tstart: 200. C; Tend: 250. C |
| Capillary | SE-30 | 2874. | Fels, Dehennin, et al., 1975 | 20. m/0.25 mm/0.33 μm, 200. C @ 10. min, 2.2 K/min; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Methyl Silicone | 2877. | Meng and Sjövall, 1997 | 25. m/0.32 mm/0.25 μm; Program: 60 0C 30 K/min -> 210 0C (1.5 min) 2.5 K/min -> 320 0C (20 min) |
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.
Mitra, 1982
Mitra, G.D.,
Determination of precise retention indices of steroids using an all-glass solid injection system,
J. Chromatogr., 1982, 234, 1, 214-217, https://doi.org/10.1016/S0021-9673(00)81795-1
. [all data]
Voelter, Jung, et al., 1971
Voelter, W.; Jung, G.; Breitmaier, E.; Bouchon, G.; Bayer, E.; Gupta, D.,
Comparison of the trifluoroacetyl and trimethylsilylether derivaties for gas chromatography of steroids,
Anal. Chim. Acta., 1971, 53, 1, 185-188, https://doi.org/10.1016/S0003-2670(01)80085-4
. [all data]
Gerhardt, Ludwig-Köhn, et al., 1989
Gerhardt, K.; Ludwig-Köhn, H.; Henning, H.V.; Remberg, G.; Zeeck, A.,
Identification of oestrogen metabolites in human urine by capillary gas chromatography and mass spectrometry,
Biomed. Environ. Mass Spectrom., 1989, 18, 2, 87-95, https://doi.org/10.1002/bms.1200180202
. [all data]
Tret'yakov, 2007
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [all data]
Krupcik, Rutten, et al., 1976
Krupcik, J.; Rutten, G.A.F.M.; Rijks, J.A.,
The influence of temperature on the separation and characterization of steroids on non-polar glass capillary columns,
Chem. zvesti, 1976, 30, 4, 469-479. [all data]
Dehennin and Scholler, 1969
Dehennin, L.; Scholler, R.,
Correlation entre la structure moleculaire de quelques steroides en C18 et leurs grandeurs de retention en chromatographie en phase gazeuse,
J. Steroid Biochem., 1969, 1, 1, 57-76, https://doi.org/10.1016/0022-4731(69)90009-0
. [all data]
Harvey, 1980
Harvey, D.J.,
Vinyldimethylsilyl ethers as derivative for the characterization of steroids and cannabinoids by gas chromatography mass spectrometry,
Biomed. Mass Spectrom., 1980, 7, 5, 211-216, https://doi.org/10.1002/bms.1200070507
. [all data]
Fels, Dehennin, et al., 1975
Fels, J.P.; Dehennin, L.; Scholler, R.,
Determination of estrogenes by gas-liquid chromatography with an open tubular column,
J. Steroid Biochem., 1975, 6, 7, 1201-1203, https://doi.org/10.1016/0022-4731(75)90103-X
. [all data]
Meng and Sjövall, 1997
Meng, L.-J.; Sjövall, J.,
Method for combined analysis of profiles of conjugated progesterone metabolites and bile acids in serum and urine of pregnant women,
J. Chromatogr. B, 1997, 688, 1, 11-26, https://doi.org/10.1016/S0378-4347(97)88051-6
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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