Estra-1,3,5(10)-triene-3,17-diol (17β)-, bis(trifluoroacetate)
- Formula: C22H22F6O4
- Molecular weight: 464.3981
- IUPAC Standard InChI: InChI=1S/C22H22F6O4/c1-20-9-8-14-13-5-3-12(31-18(29)21(23,24)25)10-11(13)2-4-15(14)16(20)6-7-17(20)32-19(30)22(26,27)28/h3,5,10,14-17H,2,4,6-9H2,1H3/t14-,15-,16+,17+,20+/m0/s1
- IUPAC Standard InChIKey: GBPADILCVOCPSX-GXAQHZSOSA-N
- CAS Registry Number: 1549-15-1
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Estradiol, bis(trifluoroacetate); β-Estradiol, bis(trifluoroacetate); 17-[(2,2,2-Trifluoroacetyl)oxy]estra-1,3,5(10)-trien-3-yl trifluoroacetate; 17β-Oestradiol, TFA
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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
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 2354.5 | Tret'yakov, 2008 | 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 |
|---|---|---|---|---|---|
| Packed | OV-1 | 200. | 2286. | Dehennin and Scholler, 1969 | N2, Gas-Chrom Q; Column length: 1.50 m |
| Packed | OV-1 | 200. | 2327. | Dehennin and Scholler, 1969 | N2, Gas-Chrom Q; Column length: 1.50 m |
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.
Tret'yakov, 2008
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2008. [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]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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